 Entering Gaussian System, Link 0=g16
 Input=09_L-alanine_conformer01_B3LYPDBJ_def2SVPDr.in
 Output=09_L-alanine_conformer01_B3LYPDBJ_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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                885.61225996             0.10071576809D-01
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            ****
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            ****
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/09_L-alanine/Gau-2907.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/09_L-alanine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2909.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=09_L-alanine_conformer01_B3LYPDBJ_def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 17:14:23 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "09_L-alanine_conformer01_B3LYPDBJ_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.427002000000     -1.177442000000     -0.238479000000
  C                                                -0.641972000000     -0.024738000000      0.376681000000
  C                                                 0.861565000000     -0.144798000000      0.057109000000
  O                                                 1.452963000000     -1.189459000000      0.072265000000
  N                                                -1.120167000000      1.316111000000      0.005085000000
  O                                                 1.454628000000      1.025837000000     -0.203694000000
  H                                                -0.696010000000     -0.097667000000      1.466774000000
  H                                                -2.464827000000     -1.153806000000      0.096525000000
  H                                                -1.412823000000     -1.109205000000     -1.329075000000
  H                                                -0.983233000000     -2.130910000000      0.041168000000
  H                                                -1.537883000000      1.311542000000     -0.918614000000
  H                                                -1.812681000000      1.664603000000      0.653772000000
  H                                                 0.732350000000      1.693512000000     -0.166585000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          14          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Aug 12 17:14:24 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427002   -1.177442   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144798    0.057109
      4          8           0        1.452963   -1.189459    0.072265
      5          7           0       -1.120167    1.316111    0.005085
      6          8           0        1.454628    1.025837   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464827   -1.153806    0.096525
      9          1           0       -1.412823   -1.109205   -1.329075
     10          1           0       -0.983233   -2.130910    0.041168
     11          1           0       -1.537883    1.311542   -0.918614
     12          1           0       -1.812681    1.664603    0.653772
     13          1           0        0.732350    1.693512   -0.166585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524277   0.000000
     3  C    2.528095   1.541805   0.000000
     4  O    2.896706   2.416195   1.200541   0.000000
     5  N    2.524139   1.471268   2.462564   3.592129   0.000000
     6  O    3.627594   2.415838   1.337957   2.232419   2.599503
     7  H    2.146660   1.093865   2.101289   2.784735   2.077309
     8  H    1.090810   2.162425   3.476282   3.918027   2.813710
     9  H    1.092821   2.163304   2.832742   3.191069   2.783485
    10  H    1.088225   2.159858   2.710752   2.611962   3.449929
    11  H    2.582619   2.065451   2.971584   4.022687   1.013769
    12  H    3.003678   2.073936   3.283524   4.375871   1.010850
    13  H    3.593097   2.266337   1.856373   2.981250   1.898347
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.945839   0.000000
     8  H    4.494786   2.474212   0.000000
     9  H    3.747954   3.058399   1.772297   0.000000
    10  H    3.996020   2.499785   1.775646   1.762383   0.000000
    11  H    3.089961   2.895634   2.822707   2.458482   3.616531
    12  H    3.437816   2.239090   2.946056   3.433013   3.933089
    13  H    0.984303   2.813609   4.289334   3.715962   4.196736
                   11         12         13
    11  H    0.000000
    12  H    1.634798   0.000000
    13  H    2.421860   2.674136   0.000000
 Stoichiometry    C3H7NO2
 Framework group  C1[X(C3H7NO2)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.427003   -1.177441   -0.238479
      2          6           0       -0.641972   -0.024738    0.376681
      3          6           0        0.861565   -0.144799    0.057109
      4          8           0        1.452962   -1.189460    0.072265
      5          7           0       -1.120166    1.316112    0.005085
      6          8           0        1.454629    1.025836   -0.203694
      7          1           0       -0.696010   -0.097667    1.466774
      8          1           0       -2.464828   -1.153804    0.096525
      9          1           0       -1.412824   -1.109204   -1.329075
     10          1           0       -0.983234   -2.130909    0.041168
     11          1           0       -1.537882    1.311543   -0.918614
     12          1           0       -1.812680    1.664604    0.653772
     13          1           0        0.732351    1.693511   -0.166585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.8847515           3.4338653           2.1618198
 Leave Link  202 at Thu Aug 12 17:14:24 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   194 symmetry adapted cartesian basis functions of A   symmetry.
 There are   182 symmetry adapted basis functions of A   symmetry.
   182 basis functions,   268 primitive gaussians,   194 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       250.1931013526 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0164597096 Hartrees.
 Nuclear repulsion after empirical dispersion term =      250.1766416430 Hartrees.
 Leave Link  301 at Thu Aug 12 17:14:26 2021, MaxMem=  5368709120 cpu:               9.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   182 RedAO= T EigKep=  6.55D-05  NBF=   182
 NBsUse=   182 1.00D-06 EigRej= -1.00D+00 NBFU=   182
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   194   194   194   194   194 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Aug 12 17:14:27 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 17:14:27 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "09_L-alanine_conformer01_B3LYPDBJ_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 17:14:29 2021, MaxMem=  5368709120 cpu:               9.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368630297 LenY=  5368592220
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -323.554272100625    
 DIIS: error= 3.47D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -323.554272100625     IErMin= 1 ErrMin= 3.47D-03
 ErrMax= 3.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-03 BMatP= 4.39D-03
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.47D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.528 Goal=   None    Shift=    0.000
 GapD=    0.528 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.64D-03 MaxDP=7.88D-02              OVMax= 1.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.62D-03    CP:  9.82D-01
 E= -323.557914102464     Delta-E=       -0.003642001840 Rises=F Damp=F
 DIIS: error= 4.35D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -323.557914102464     IErMin= 2 ErrMin= 4.35D-04
 ErrMax= 4.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-04 BMatP= 4.39D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.35D-03
 Coeff-Com:  0.214D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.214D-01 0.979D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.15D-04 MaxDP=5.48D-03 DE=-3.64D-03 OVMax= 4.48D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.61D-04    CP:  9.81D-01  1.04D+00
 E= -323.557893883617     Delta-E=        0.000020218847 Rises=F Damp=F
 DIIS: error= 4.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -323.557914102464     IErMin= 2 ErrMin= 4.35D-04
 ErrMax= 4.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-04 BMatP= 1.20D-04
 IDIUse=3 WtCom= 3.17D-01 WtEn= 6.83D-01
 Coeff-Com: -0.228D-01 0.546D+00 0.477D+00
 Coeff-En:   0.000D+00 0.541D+00 0.459D+00
 Coeff:     -0.723D-02 0.543D+00 0.465D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=7.72D-05 MaxDP=2.73D-03 DE= 2.02D-05 OVMax= 2.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  9.81D-01  1.03D+00  5.79D-01
 E= -323.558025235458     Delta-E=       -0.000131351841 Rises=F Damp=F
 DIIS: error= 7.38D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -323.558025235458     IErMin= 4 ErrMin= 7.38D-05
 ErrMax= 7.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-06 BMatP= 1.20D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-01 0.234D+00 0.228D+00 0.549D+00
 Coeff:     -0.116D-01 0.234D+00 0.228D+00 0.549D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.41D-05 MaxDP=5.17D-04 DE=-1.31D-04 OVMax= 3.89D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  9.81D-01  1.04D+00  5.93D-01  8.88D-01
 E= -323.558027298039     Delta-E=       -0.000002062581 Rises=F Damp=F
 DIIS: error= 2.24D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -323.558027298039     IErMin= 5 ErrMin= 2.24D-05
 ErrMax= 2.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-07 BMatP= 2.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-02 0.213D-01 0.279D-01 0.251D+00 0.702D+00
 Coeff:     -0.175D-02 0.213D-01 0.279D-01 0.251D+00 0.702D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=4.24D-06 MaxDP=1.18D-04 DE=-2.06D-06 OVMax= 1.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.79D-06    CP:  9.81D-01  1.04D+00  5.98D-01  9.14D-01  7.81D-01
 E= -323.558027502269     Delta-E=       -0.000000204230 Rises=F Damp=F
 DIIS: error= 7.62D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -323.558027502269     IErMin= 6 ErrMin= 7.62D-06
 ErrMax= 7.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-08 BMatP= 2.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.235D-03-0.278D-02 0.652D-03 0.102D+00 0.384D+00 0.516D+00
 Coeff:     -0.235D-03-0.278D-02 0.652D-03 0.102D+00 0.384D+00 0.516D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.38D-06 MaxDP=5.76D-05 DE=-2.04D-07 OVMax= 6.67D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  9.81D-01  1.04D+00  5.96D-01  9.11D-01  7.84D-01
                    CP:  7.25D-01
 E= -323.558027527373     Delta-E=       -0.000000025104 Rises=F Damp=F
 DIIS: error= 3.05D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -323.558027527373     IErMin= 7 ErrMin= 3.05D-06
 ErrMax= 3.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-09 BMatP= 3.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.756D-04-0.414D-02-0.321D-02 0.296D-01 0.143D+00 0.310D+00
 Coeff-Com:  0.524D+00
 Coeff:      0.756D-04-0.414D-02-0.321D-02 0.296D-01 0.143D+00 0.310D+00
 Coeff:      0.524D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=4.78D-07 MaxDP=1.39D-05 DE=-2.51D-08 OVMax= 2.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.57D-07    CP:  9.81D-01  1.04D+00  5.96D-01  9.14D-01  7.94D-01
                    CP:  7.21D-01  7.68D-01
 E= -323.558027530745     Delta-E=       -0.000000003373 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -323.558027530745     IErMin= 8 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-10 BMatP= 4.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.546D-04-0.217D-02-0.199D-02 0.100D-01 0.578D-01 0.152D+00
 Coeff-Com:  0.324D+00 0.461D+00
 Coeff:      0.546D-04-0.217D-02-0.199D-02 0.100D-01 0.578D-01 0.152D+00
 Coeff:      0.324D+00 0.461D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=6.25D-06 DE=-3.37D-09 OVMax= 9.13D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.26D-07    CP:  9.81D-01  1.04D+00  5.96D-01  9.14D-01  7.94D-01
                    CP:  7.24D-01  7.48D-01  7.45D-01
 E= -323.558027531175     Delta-E=       -0.000000000429 Rises=F Damp=F
 DIIS: error= 2.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -323.558027531175     IErMin= 9 ErrMin= 2.67D-07
 ErrMax= 2.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-11 BMatP= 5.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-04-0.527D-03-0.604D-03 0.493D-03 0.783D-02 0.305D-01
 Coeff-Com:  0.814D-01 0.246D+00 0.635D+00
 Coeff:      0.194D-04-0.527D-03-0.604D-03 0.493D-03 0.783D-02 0.305D-01
 Coeff:      0.814D-01 0.246D+00 0.635D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=6.06D-08 MaxDP=2.91D-06 DE=-4.29D-10 OVMax= 1.34D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.00D-08    CP:  9.81D-01  1.04D+00  5.96D-01  9.14D-01  7.94D-01
                    CP:  7.31D-01  7.69D-01  7.92D-01  8.33D-01
 E= -323.558027531203     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 7.08D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -323.558027531203     IErMin=10 ErrMin= 7.08D-08
 ErrMax= 7.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-12 BMatP= 3.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.366D-05-0.345D-04-0.956D-04-0.797D-03-0.204D-02-0.348D-03
 Coeff-Com:  0.639D-02 0.800D-01 0.300D+00 0.617D+00
 Coeff:      0.366D-05-0.345D-04-0.956D-04-0.797D-03-0.204D-02-0.348D-03
 Coeff:      0.639D-02 0.800D-01 0.300D+00 0.617D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.44D-08 MaxDP=4.12D-07 DE=-2.79D-11 OVMax= 3.65D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.07D-08    CP:  9.81D-01  1.04D+00  5.96D-01  9.14D-01  7.94D-01
                    CP:  7.30D-01  7.73D-01  8.03D-01  8.30D-01  8.15D-01
 E= -323.558027531199     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.79D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -323.558027531203     IErMin=11 ErrMin= 1.79D-08
 ErrMax= 1.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-13 BMatP= 2.86D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.638D-07 0.262D-04 0.109D-04-0.340D-03-0.137D-02-0.232D-02
 Coeff-Com: -0.399D-02 0.130D-01 0.625D-01 0.246D+00 0.687D+00
 Coeff:     -0.638D-07 0.262D-04 0.109D-04-0.340D-03-0.137D-02-0.232D-02
 Coeff:     -0.399D-02 0.130D-01 0.625D-01 0.246D+00 0.687D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=5.05D-09 MaxDP=2.02D-07 DE= 3.30D-12 OVMax= 9.75D-08

 SCF Done:  E(RB3LYP) =  -323.558027531     A.U. after   11 cycles
            NFock= 11  Conv=0.51D-08     -V/T= 2.0098
 KE= 3.204136902376D+02 PE=-1.256031259123D+03 EE= 3.618828997113D+02
 Leave Link  502 at Thu Aug 12 17:14:58 2021, MaxMem=  5368709120 cpu:             225.0 elap:              28.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   182
 NBasis=   182 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    182 NOA=    24 NOB=    24 NVA=   158 NVB=   158

 **** Warning!!: The largest alpha MO coefficient is  0.25498390D+02

 Leave Link  801 at Thu Aug 12 17:14:58 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3945 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.32D-14 8.33D-09 XBig12= 1.00D+00 3.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.32D-14 8.33D-09 XBig12= 3.69D-01 9.95D-02.
     11 vectors produced by pass  2 Test12= 6.32D-14 8.33D-09 XBig12= 4.29D-02 3.45D-02.
     11 vectors produced by pass  3 Test12= 6.32D-14 8.33D-09 XBig12= 1.80D-03 7.95D-03.
     11 vectors produced by pass  4 Test12= 6.32D-14 8.33D-09 XBig12= 7.33D-05 2.08D-03.
     11 vectors produced by pass  5 Test12= 6.32D-14 8.33D-09 XBig12= 1.19D-06 2.14D-04.
     11 vectors produced by pass  6 Test12= 6.32D-14 8.33D-09 XBig12= 1.01D-08 1.22D-05.
     11 vectors produced by pass  7 Test12= 6.32D-14 8.33D-09 XBig12= 5.36D-11 1.08D-06.
      7 vectors produced by pass  8 Test12= 6.32D-14 8.33D-09 XBig12= 2.18D-13 6.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension    95 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.600605D+02
      2 -0.108027D+01  0.616092D+02
      3 -0.471942D+00 -0.603173D+00  0.450514D+02
 Isotropic polarizability for W=    0.093368       55.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.414458D+02  0.441773D+00 -0.720937D+00
      2   0.254677D+02 -0.880489D+01  0.126714D+01
      3   0.159781D+02  0.836312D+01 -0.546199D+00
      4  -0.104887D+02 -0.203216D+02 -0.587911D+01
      5  -0.955416D+00 -0.700247D+01 -0.408879D+02
      6  -0.467434D+01 -0.215552D+01 -0.636771D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.662638D+00  0.208423D+01  0.550639D+01
      2  -0.325197D+01 -0.183446D+01 -0.182192D+02
      3   0.364002D+01  0.957441D+01  0.137285D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.112336D+01 -0.342266D+01  0.147308D+02
      2   0.234479D+00 -0.120477D+01 -0.568660D+02
      3  -0.109305D+02  0.457893D+02  0.232813D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.511645D+00 -0.106588D+00 -0.181156D+01
      2  -0.106588D+00  0.716553D+00  0.776604D+00
      3  -0.181156D+01  0.776604D+00 -0.387949D-02
 OR G Eigenvalues:    -2.1539     0.4173     1.9376  Iso=    -0.0670
 Eigenvectors:
   (1)   0.727537  -0.153873   0.668591
   (2)   0.431895   0.859911  -0.272068
   (3)  -0.533064   0.486700   0.692073
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0670 au.
 Molar Mass =     89.0938 grams/mole, [Alpha] ( 4880.0 A) =      -42.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   16653 ScalPx= 6.54D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.67D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.05D-14 2.78D-09 XBig12= 1.00D+00 4.16D-01.
     30 vectors produced by pass  1 Test12= 1.05D-14 2.78D-09 XBig12= 6.58D-02 4.64D-02.
     30 vectors produced by pass  2 Test12= 1.05D-14 2.78D-09 XBig12= 4.11D-04 2.86D-03.
     30 vectors produced by pass  3 Test12= 1.05D-14 2.78D-09 XBig12= 2.17D-06 2.19D-04.
     30 vectors produced by pass  4 Test12= 1.05D-14 2.78D-09 XBig12= 8.04D-09 1.15D-05.
     30 vectors produced by pass  5 Test12= 1.05D-14 2.78D-09 XBig12= 1.28D-11 4.34D-07.
     15 vectors produced by pass  6 Test12= 1.05D-14 2.78D-09 XBig12= 1.38D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   195 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 3.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   16653 ScalPx= 3.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   16653 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.39D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600605D+02 -0.108027D+01 -0.471942D+00
      2  -0.108027D+01  0.616092D+02 -0.603173D+00
      3  -0.471942D+00 -0.603173D+00  0.450514D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.662638D+00  0.208423D+01  0.550639D+01
      2  -0.325197D+01 -0.183446D+01 -0.182192D+02
      3   0.364002D+01  0.957441D+01  0.137285D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.414458D+02  0.441773D+00 -0.720937D+00
      2   0.254677D+02 -0.880489D+01  0.126714D+01
      3   0.159781D+02  0.836312D+01 -0.546199D+00
      4  -0.104887D+02 -0.203216D+02 -0.587911D+01
      5  -0.955416D+00 -0.700247D+01 -0.408879D+02
      6  -0.467434D+01 -0.215552D+01 -0.636771D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.531671D+01 -0.512433D+00 -0.229120D+01 -0.167543D+01 -0.322030D+01
      2  -0.512433D+00 -0.444957D+01 -0.154273D+00 -0.322030D+01  0.290402D+01
      3  -0.229120D+01 -0.154273D+00  0.812820D-01 -0.259114D+00 -0.191861D+01
                 6             7             8             9            10 
      1  -0.259114D+00 -0.297938D+01 -0.676077D+00  0.507987D+00 -0.398753D+01
      2  -0.191861D+01 -0.676077D+00 -0.230668D+01  0.209252D-01  0.102720D+01
      3  -0.263215D+00  0.507987D+00  0.209252D-01  0.707145D+01  0.570605D+00
                11            12            13            14            15 
      1   0.102720D+01  0.570605D+00  0.137542D+01  0.283968D+01  0.407589D+00
      2   0.364182D+01  0.396382D+00  0.283968D+01 -0.157517D+01  0.102404D+01
      3   0.396382D+00  0.160434D-01  0.407589D+00  0.102404D+01  0.577260D+00
                16            17            18            19            20 
      1   0.380237D+00  0.108617D+01  0.354226D+00  0.258486D+01  0.657996D+00
      2   0.108617D+01  0.169818D+01  0.251056D+00  0.657996D+00 -0.406919D+01
      3   0.354226D+00  0.251056D+00 -0.726991D+01  0.122903D-01  0.265255D+00
                21            22            23            24            25 
      1   0.122903D-01  0.279900D+01 -0.459690D+01  0.144439D+00 -0.636139D+00
      2   0.265255D+00 -0.459690D+01  0.339324D+01  0.959388D-01  0.527801D+00
      3  -0.479333D-01  0.144439D+00  0.959388D-01  0.595819D+00  0.766029D-01
                26            27            28            29            30 
      1   0.527801D+00  0.766029D-01  0.564987D+01 -0.415543D+01  0.221879D+00
      2  -0.377067D+00  0.249934D+00 -0.415543D+01  0.434526D+01 -0.295034D+00
      3   0.249934D+00  0.591929D+00  0.221879D+00 -0.295034D+00  0.118721D+01
                31            32            33            34            35 
      1  -0.509052D+01  0.397858D+01  0.230931D-01  0.398252D+00 -0.353138D-01
      2   0.397858D+01 -0.101656D+02  0.112376D+00 -0.353138D-01  0.564836D-01
      3   0.230931D-01  0.112376D+00 -0.231706D+01  0.199206D+01 -0.278406D+01
                36            37            38            39            40 
      1   0.199206D+01  0.367846D+01 -0.205815D+01 -0.779958D+00 -0.160109D+01
      2  -0.278406D+01 -0.205815D+01  0.124745D+00  0.318954D+00 -0.575224D+00
      3   0.136657D+00 -0.779958D+00  0.318954D+00  0.285311D+01  0.456098D+00
                41            42            43            44            45 
      1  -0.575224D+00  0.456098D+00 -0.104731D+01  0.620557D+00  0.311201D+01
      2   0.474526D+01 -0.843601D+00  0.620557D+00 -0.960658D+00 -0.618211D+00
      3  -0.843601D+00 -0.262611D+00  0.311201D+01 -0.618211D+00  0.305341D+01
                46            47            48            49            50 
      1   0.727677D+01  0.168062D+01 -0.688522D+00 -0.225203D+01  0.397654D+01
      2   0.168062D+01  0.400652D+01 -0.415208D+00  0.397654D+01  0.237968D+01
      3  -0.688522D+00 -0.415208D+00  0.860106D+00  0.816624D-02 -0.389215D+00
                51            52            53            54            55 
      1   0.816624D-02 -0.854721D+00 -0.533913D+00  0.127820D+01  0.132702D+00
      2  -0.389215D+00 -0.533913D+00 -0.447486D+00  0.177187D+01 -0.180114D+00
      3   0.843047D+00  0.127820D+01  0.177187D+01 -0.113917D+01  0.100805D+01
                56            57            58            59            60 
      1  -0.180114D+00  0.100805D+01 -0.533081D+00 -0.728419D+00  0.250935D-01
      2  -0.734287D+00 -0.202589D-01 -0.728419D+00  0.327903D-01  0.111916D+01
      3  -0.202589D-01 -0.481001D+00  0.250935D-01  0.111916D+01 -0.479031D+00
                61            62            63            64            65 
      1   0.178814D+01 -0.146275D+00 -0.663083D+00 -0.942508D+01 -0.143451D+01
      2  -0.146275D+00  0.144710D+01 -0.519595D-01 -0.143451D+01 -0.127737D+01
      3  -0.663083D+00 -0.519595D-01  0.909728D+01  0.149399D+01  0.111430D+00
                66            67            68            69            70 
      1   0.149399D+01  0.248069D+00 -0.843430D+00  0.137797D+00  0.235760D+01
      2   0.111430D+00 -0.843430D+00 -0.632661D+00  0.502316D+00  0.392092D+00
      3  -0.150217D+01  0.137797D+00  0.502316D+00  0.908160D-01 -0.148898D+01
                71            72            73            74            75 
      1   0.392092D+00 -0.148898D+01 -0.769861D+00 -0.127862D+00 -0.721687D+00
      2   0.994620D+00 -0.222903D+00 -0.127862D+00  0.576969D+00  0.633413D-01
      3  -0.222903D+00  0.347410D+00 -0.721687D+00  0.633413D-01  0.651446D-01
                76            77            78            79            80 
      1   0.342638D+00  0.199343D+00  0.143723D+00 -0.130519D+01 -0.372892D+00
      2   0.199343D+00 -0.462860D+00 -0.800134D+00 -0.372892D+00 -0.167639D+01
      3   0.143723D+00 -0.800134D+00  0.294238D+00 -0.100394D+01 -0.951920D+00
                81            82            83            84            85 
      1  -0.100394D+01  0.770476D+00 -0.657267D+00  0.508829D+00 -0.139007D+01
      2  -0.951920D+00 -0.657267D+00  0.240278D+01 -0.108020D+00  0.960595D+00
      3  -0.848643D+01  0.508829D+00 -0.108020D+00  0.595083D+00 -0.216988D+00
                86            87            88            89            90 
      1   0.960595D+00 -0.216988D+00  0.801198D+00  0.755412D-01  0.174590D+00
      2  -0.847799D+01  0.102810D+01  0.755412D-01  0.165014D+01 -0.120129D+01
      3   0.102810D+01 -0.130654D+01  0.174590D+00 -0.120129D+01  0.893775D-01
                91            92            93            94            95 
      1  -0.175493D+01  0.120812D+01 -0.148308D+01  0.743034D+00 -0.252819D+00
      2   0.120812D+01 -0.686021D+00  0.627967D+00 -0.252819D+00  0.740476D+00
      3  -0.148308D+01  0.627967D+00 -0.190424D+01  0.293062D+00 -0.506364D+00
                96            97            98            99           100 
      1   0.293062D+00 -0.270056D+01  0.770472D+00 -0.257799D+01 -0.508832D+01
      2  -0.506364D+00  0.770472D+00 -0.202103D+01  0.127854D+01  0.305954D+01
      3   0.195943D+00 -0.257799D+01  0.127854D+01 -0.551721D+01  0.178990D+01
               101           102           103           104           105 
      1   0.305954D+01  0.178990D+01  0.299213D+01 -0.178116D+01 -0.952547D+00
      2  -0.252765D+01 -0.104823D+01 -0.178116D+01  0.224456D+01  0.875946D+00
      3  -0.104823D+01 -0.172170D+01 -0.952547D+00  0.875946D+00  0.102871D+01
               106           107           108           109           110 
      1   0.342842D+01 -0.166774D+01 -0.215952D+01 -0.438412D+01  0.149229D+01
      2  -0.166774D+01  0.202903D+01  0.148102D+01  0.149229D+01 -0.135402D+01
      3  -0.215952D+01  0.148102D+01  0.226681D+01  0.358905D+00  0.257690D+00
               111           112           113           114           115 
      1   0.358905D+00  0.404193D+01  0.435201D-01 -0.210412D+00  0.369454D+00
      2   0.257690D+00  0.435201D-01  0.487422D+01 -0.299955D+00 -0.404219D-01
      3  -0.939033D-03 -0.210412D+00 -0.299955D+00  0.100263D+01  0.397839D+00
               116           117 
      1  -0.404219D-01  0.397839D+00
      2  -0.862471D-01  0.777000D+00
      3   0.777000D+00 -0.241594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.451103D+01 -0.643578D-02 -0.597896D+00 -0.726344D+00 -0.712533D+01
      2   0.652889D+01  0.158461D+01  0.134622D+01  0.188899D+01  0.271631D+01
      3  -0.801374D+01 -0.974620D+01  0.316951D+01 -0.107685D+01  0.137832D+02
                 6             7             8             9            10 
      1  -0.267084D+01  0.117572D+01  0.233841D+01  0.883233D+01  0.966871D+00
      2   0.745079D+00 -0.359277D+01 -0.102266D+00 -0.977426D+01  0.638894D+00
      3  -0.313373D+01  0.341167D+01 -0.318231D+01 -0.108851D+01  0.375015D+01
                11            12            13            14            15 
      1   0.115145D+01 -0.127168D+00  0.190906D+01  0.623772D+00  0.557929D+00
      2   0.180752D+01  0.347102D+01 -0.126415D+01 -0.354127D+01 -0.937098D+00
      3  -0.243826D+01 -0.131544D+01  0.122054D+01 -0.324545D+01  0.138838D+01
                16            17            18            19            20 
      1   0.687415D-02  0.545333D+01 -0.105514D+01 -0.478156D-01  0.110067D+01
      2  -0.329863D+01 -0.599989D+00  0.250320D+01 -0.456487D+01 -0.211666D+01
      3   0.459294D+00  0.264847D+01 -0.487650D+00  0.418056D+01  0.382895D+01
                21            22            23            24            25 
      1  -0.158640D+01  0.234008D+01  0.108111D+01  0.876296D+01  0.239104D+01
      2  -0.635326D+01 -0.202653D+01  0.137018D+01  0.261066D+01 -0.176268D+02
      3   0.673026D+00  0.200538D+01 -0.727649D+01 -0.182307D+01 -0.795445D+00
                26            27            28            29            30 
      1   0.100831D+02 -0.206919D+01 -0.173436D+00  0.376324D+00  0.470686D+01
      2  -0.111557D+01  0.347246D+01 -0.408970D+00  0.163812D+00  0.731694D+01
      3  -0.325229D+01 -0.696648D+00 -0.267920D+01 -0.913769D+01  0.163026D+00
                31            32            33            34            35 
      1  -0.359607D+00 -0.859035D+00 -0.934762D+01 -0.570258D+00  0.162852D+01
      2   0.217258D+01 -0.548661D+00 -0.480324D+01  0.286136D+01 -0.209158D+01
      3   0.742130D+01  0.139043D+02  0.426557D+00  0.982957D+00  0.751134D+00
                36            37            38            39            40 
      1   0.327270D+00  0.220268D+01 -0.186714D+01 -0.580777D+01 -0.320660D+01
      2  -0.936300D+00  0.188200D+01 -0.224447D+01  0.648393D+00 -0.133011D+01
      3   0.326553D+01  0.523313D+01 -0.106605D+02 -0.284060D+00  0.129541D+01
                41            42            43            44            45 
      1   0.316979D+01 -0.415279D+01 -0.769161D+01  0.580861D+01 -0.470208D+01
      2   0.178524D+01  0.954131D+00 -0.737580D+01  0.190820D+01 -0.255702D+01
      3   0.240209D+01  0.393365D+00 -0.176382D+01  0.619084D+00  0.565183D+01
                46            47            48            49            50 
      1   0.145520D+01 -0.133352D+01 -0.352540D+01 -0.862555D+00  0.737708D+00
      2   0.190192D+01 -0.457939D+00  0.613863D+01 -0.926786D+00 -0.134491D+00
      3   0.138215D+02 -0.142029D+02 -0.335896D+00 -0.907765D+01  0.328580D+01
                51            52            53            54            55 
      1  -0.526455D+01 -0.250585D+01  0.126974D+01  0.148776D+01  0.163652D+00
      2   0.109866D+01  0.360344D+01  0.242768D+01 -0.233105D+01 -0.633963D-01
      3   0.535495D+00 -0.124750D+01  0.192281D+01 -0.146747D+01 -0.680529D+00
                56            57            58            59            60 
      1  -0.867655D+00 -0.258384D+00 -0.856147D+00  0.243988D+00 -0.556849D+00
      2  -0.306340D+00  0.329500D+00  0.219951D+00  0.232550D+00  0.540014D+00
      3  -0.125436D+01  0.158902D+00  0.778862D+00  0.569481D+00  0.768106D+00
                61            62            63            64            65 
      1  -0.647979D+00  0.287873D+01  0.112653D+01  0.172374D+01 -0.908845D-01
      2  -0.236497D+01  0.394459D+00 -0.535481D+01 -0.376473D+01 -0.144127D+00
      3  -0.429274D+00  0.831653D+00  0.267631D+00  0.101844D+02 -0.329569D+01
                66            67            68            69            70 
      1  -0.216973D+01  0.195248D+00  0.669573D+00 -0.581430D+00 -0.154093D+01
      2   0.544778D+01 -0.267777D+00 -0.739692D+00 -0.294081D+00  0.164656D+01
      3  -0.215902D+01  0.529414D-01 -0.194077D+00  0.714514D+00 -0.236964D+01
                71            72            73            74            75 
      1   0.725194D+00  0.452822D+00 -0.778136D+00 -0.256160D+00 -0.237525D+00
      2   0.112053D+00 -0.125682D+01  0.819363D+00 -0.122093D+00  0.725678D+00
      3   0.184102D+01  0.145587D+01  0.694318D+00  0.266017D+00  0.918816D+00
                76            77            78            79            80 
      1  -0.511580D-01 -0.104580D+01 -0.528720D+00 -0.950027D+00  0.251882D+01
      2  -0.202520D+00  0.105231D+01 -0.190894D+00 -0.189852D+01  0.966995D+00
      3   0.704831D+00 -0.104963D+01 -0.102074D+01  0.162033D+01 -0.221946D+01
                81            82            83            84            85 
      1  -0.113241D+02  0.120068D+01 -0.554737D+00  0.170561D+01 -0.798884D+00
      2   0.128823D+02 -0.758377D+00 -0.123436D+00 -0.208202D+00  0.214640D+00
      3   0.146861D+00 -0.455390D+01  0.466552D+01 -0.142949D+01  0.671865D+01
                86            87            88            89            90 
      1   0.331758D+01 -0.425185D+01  0.511903D+00 -0.825461D+00  0.551961D+00
      2  -0.964197D+00  0.138882D+01 -0.124579D+01  0.110145D+01  0.137958D-01
      3  -0.151052D+02  0.225197D+01 -0.185208D+01  0.270991D+01 -0.195150D+01
                91            92            93            94            95 
      1   0.271001D+01 -0.431700D+00  0.391271D+01 -0.429369D+00  0.151367D+01
      2   0.727611D+00 -0.664223D+00  0.289859D+01 -0.478360D+00  0.445321D+00
      3  -0.144068D+01  0.330180D+00 -0.155211D+01  0.168824D+01  0.207486D+00
                96            97            98            99           100 
      1  -0.808783D+00  0.543371D+01 -0.119432D+00  0.986046D+01 -0.347279D+01
      2  -0.484403D+00  0.951962D+00 -0.173795D+01  0.641269D+01 -0.102504D+01
      3   0.754130D-01 -0.431095D+01 -0.207945D+01 -0.334118D+01 -0.584921D+01
               101           102           103           104           105 
      1   0.174306D+01  0.383517D+01  0.212178D+01 -0.120659D+01 -0.193629D+01
      2   0.144515D+01  0.307007D+01  0.101521D+01 -0.782323D+00 -0.159723D+01
      3   0.426393D+00  0.186643D+01  0.450063D+01  0.458617D+00 -0.940565D+00
               106           107           108           109           110 
      1   0.423833D+01 -0.141718D+01 -0.374774D+01 -0.143962D+01  0.103672D+01
      2   0.133604D+01 -0.169361D+01 -0.307183D+01 -0.214919D+01  0.876629D+00
      3   0.538999D+01  0.206313D+00 -0.223587D+01 -0.141059D+02  0.104133D+02
               111           112           113           114           115 
      1   0.149914D+00  0.960385D+00 -0.818887D+00 -0.174676D+01 -0.391790D+00
      2  -0.230576D+01  0.984865D+00 -0.891270D+00  0.969585D+00 -0.302673D+01
      3   0.427714D+00  0.137984D+02 -0.828044D+01  0.128409D+00  0.904473D+00
               116           117 
      1   0.462831D+00 -0.422834D-01
      2   0.970364D+00  0.233572D+00
      3  -0.796871D+00  0.481090D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.309632D+02 -0.884187D+01  0.103053D+02 -0.314826D+01  0.152717D+02
      2   0.151241D+02  0.131149D+02 -0.587371D+01  0.739485D+01 -0.176045D+02
      3   0.158391D+02 -0.427306D+01 -0.443158D+01 -0.424659D+01  0.233280D+01
      4  -0.994572D+01  0.980213D+01  0.554394D+01  0.124332D+02  0.371199D+01
      5   0.101654D+02  0.144309D+01  0.835178D-01  0.174452D+01  0.630243D+01
      6   0.745044D+01  0.156634D+01  0.514706D+00  0.160828D+01  0.870963D+01
                 6             7             8             9            10 
      1  -0.312635D+01  0.127937D+02 -0.157097D+01  0.513009D+01  0.642728D+01
      2   0.568896D+01 -0.465911D+01  0.601271D+01  0.805593D+01 -0.120009D+01
      3  -0.256261D+01 -0.813462D+01 -0.444174D+01 -0.131860D+02 -0.522718D+01
      4   0.471661D+01  0.812849D+01  0.643810D+01  0.188688D+01 -0.187780D+01
      5   0.139174D+01 -0.877048D+00  0.115907D+01 -0.187746D+02 -0.213804D+01
      6   0.290354D+01 -0.223376D+00  0.588318D+00 -0.127128D+02 -0.173275D+00
                11            12            13            14            15 
      1  -0.371965D+01  0.132822D+00 -0.648741D+00 -0.821531D-01 -0.186723D+01
      2   0.292489D+01 -0.796946D-01 -0.484888D+00 -0.606369D+01  0.545068D+00
      3   0.794761D+00 -0.531271D-01  0.113363D+01  0.614584D+01  0.132217D+01
      4  -0.225784D+01 -0.126450D+01 -0.153245D+02 -0.566384D+00 -0.276420D+01
      5  -0.109347D+01  0.110350D+01 -0.213863D+01 -0.216367D+01 -0.123253D+01
      6  -0.263640D+01  0.703885D+00 -0.256515D+01 -0.222617D+01 -0.489742D+01
                16            17            18            19            20 
      1  -0.618402D+01 -0.226528D+01  0.898724D+01 -0.819203D+01 -0.221026D+01
      2  -0.704590D+00  0.122483D+01  0.101744D+02 -0.157626D+00  0.445942D+01
      3   0.688861D+01  0.104045D+01 -0.191616D+02  0.834966D+01 -0.224916D+01
      4  -0.163769D+01 -0.560770D+01 -0.241480D+01  0.802200D+01 -0.206813D+02
      5  -0.726015D+00 -0.913750D+00  0.122845D+02 -0.198674D+01  0.223125D+01
      6  -0.982496D+00  0.121285D+01  0.243048D+01 -0.432498D+00  0.669239D+00
                21            22            23            24            25 
      1  -0.214884D+01  0.115052D+02 -0.213686D+00 -0.847977D+00  0.168931D+01
      2  -0.946852D+00 -0.564605D+01 -0.870014D+01 -0.186628D+01 -0.240070D+01
      3   0.309569D+01 -0.585915D+01  0.891383D+01  0.271425D+01  0.711391D+00
      4   0.123719D+01 -0.252207D+02  0.116806D+02  0.971508D+00  0.162919D+01
      5  -0.764694D+01  0.321110D+01 -0.269949D+00  0.356033D+01  0.127785D+01
      6   0.115120D+01 -0.185832D-01  0.198880D+01 -0.141246D+02 -0.223800D+00
                26            27            28            29            30 
      1   0.763740D+00 -0.622315D+01  0.238376D+02 -0.635594D+01  0.489766D+00
      2   0.732058D+00 -0.532084D+01 -0.964519D+01 -0.248639D+01 -0.432596D+00
      3  -0.149580D+01  0.115440D+02 -0.141925D+02  0.884233D+01 -0.571706D-01
      4   0.490173D+01  0.208186D+01 -0.242875D+02  0.261520D+02 -0.130934D+01
      5   0.646393D+00  0.298120D+01  0.285325D+01 -0.168182D+01  0.117496D+02
      6   0.403518D+01  0.177527D+01 -0.455358D+00  0.364896D+00 -0.656012D+01
                31            32            33            34            35 
      1  -0.115350D+02 -0.613683D+01  0.346006D-01  0.296617D+00  0.147671D+00
      2  -0.545688D+00  0.212236D+02  0.975652D+00  0.395948D+00  0.524659D+00
      3   0.120806D+02 -0.150868D+02 -0.101025D+01 -0.692564D+00 -0.672331D+00
      4   0.293429D+02 -0.362216D+02  0.846331D+00 -0.272445D+00 -0.560505D+00
      5  -0.197157D+01  0.200835D+01 -0.934337D+01  0.120357D+02 -0.928595D+01
      6   0.645447D+00 -0.351340D+00  0.141868D+02 -0.486504D+01  0.103174D+02
                36            37            38            39            40 
      1   0.186823D+00  0.158042D+01  0.994056D+01  0.160624D+01  0.799790D+01
      2  -0.205086D+01 -0.390061D+01 -0.648523D+01  0.218658D+01 -0.466417D+01
      3   0.186404D+01  0.232019D+01 -0.345532D+01 -0.379283D+01 -0.333372D+01
      4  -0.951456D+01  0.146746D+02 -0.310049D+01 -0.308715D+01  0.513764D+01
      5   0.668207D+00  0.357844D+01 -0.288823D+01 -0.659309D+01 -0.267607D+01
      6  -0.572921D+00 -0.427181D+01  0.368496D+01  0.875045D+01  0.386883D+01
                41            42            43            44            45 
      1  -0.113152D+02 -0.303708D+00  0.166079D+01 -0.176960D+01 -0.919563D+01
      2   0.210690D+02 -0.201379D+01  0.326010D+01 -0.220477D+01  0.562504D+01
      3  -0.975381D+01  0.231750D+01 -0.492088D+01  0.397438D+01  0.357059D+01
      4  -0.955269D+01  0.346327D+01 -0.594631D+01  0.395534D+01  0.100863D+02
      5   0.286898D+01  0.158105D+01 -0.785812D+01  0.496889D+01 -0.835110D+01
      6  -0.382828D+01  0.444146D+01  0.117083D+02 -0.217355D+00  0.540481D+01
                46            47            48            49            50 
      1   0.218365D+02  0.305171D+01  0.336614D-01 -0.324029D+01  0.273275D+00
      2  -0.122462D+02  0.399245D+01  0.136496D+01  0.762833D+01  0.734719D+01
      3  -0.959028D+01 -0.704416D+01 -0.139862D+01 -0.438804D+01 -0.762047D+01
      4   0.228549D+02  0.201913D+02 -0.178071D+01  0.137436D+02  0.154193D+02
      5  -0.247076D+01 -0.108801D+01  0.110812D+02  0.274699D+00 -0.136387D+01
      6  -0.136557D+01 -0.946437D+00  0.556520D+01 -0.623368D+00 -0.230249D+01
                51            52            53            54            55 
      1   0.182635D+01  0.401708D+00  0.765308D+00 -0.699958D-01  0.465974D+00
      2  -0.453296D+00  0.117890D+01 -0.941407D+00 -0.397115D+01 -0.351200D+01
      3  -0.137305D+01 -0.158061D+01  0.176100D+00  0.404114D+01  0.304603D+01
      4  -0.131576D+01 -0.191539D+01 -0.234878D+01  0.669735D+01  0.626988D+00
      5   0.342783D+01  0.999655D+01  0.620049D+01 -0.452860D+01 -0.197970D+01
      6   0.110549D+02  0.318139D+01  0.808190D+01 -0.317219D+01 -0.722437D+00
                56            57            58            59            60 
      1   0.279189D+00 -0.184572D+01 -0.367440D+00 -0.348145D+01  0.716142D+00
      2   0.110228D+00  0.122806D+01 -0.483451D-01 -0.166533D+00  0.268332D+00
      3  -0.389417D+00  0.617657D+00  0.415785D+00  0.364799D+01 -0.984474D+00
      4   0.228542D+01 -0.347028D+00  0.366865D+01  0.438291D+00 -0.136586D+01
      5  -0.363722D+00  0.682897D+01 -0.159757D+00 -0.155769D+01  0.749548D+00
      6   0.836793D+00 -0.229753D+00  0.117135D+00 -0.764214D+00  0.695815D+01
                61            62            63            64            65 
      1   0.511381D+00  0.223722D+00 -0.180279D+02  0.508936D+02  0.482058D+01
      2   0.243303D+01  0.174611D+00 -0.177073D+02 -0.247632D+02  0.206606D+00
      3  -0.294441D+01 -0.398332D+00  0.357352D+02 -0.261304D+02 -0.502719D+01
      4  -0.863285D+00 -0.195956D+01  0.645962D+00  0.233061D+02  0.111096D+02
      5   0.580241D+01  0.105150D+00 -0.143322D+02 -0.710288D+01 -0.749787D+00
      6   0.456915D+00  0.450911D+01 -0.216034D+01 -0.433356D+01 -0.747210D+00
                66            67            68            69            70 
      1  -0.814395D+01 -0.233826D+01  0.316846D+01  0.606479D+00 -0.105636D+02
      2   0.416311D+01  0.322542D+01  0.905492D+00 -0.124972D+01  0.578558D+01
      3   0.398083D+01 -0.887164D+00 -0.407395D+01  0.643242D+00  0.477804D+01
      4  -0.361614D+01  0.734557D+01  0.313162D+01 -0.221968D+01 -0.565292D+01
      5   0.904401D+01 -0.310336D+00 -0.201405D+01 -0.394092D+00  0.964731D+01
      6   0.417341D+01 -0.666556D+00 -0.118653D+01  0.997595D+00  0.372717D+01
                71            72            73            74            75 
      1  -0.115504D+00  0.542014D+01  0.404173D+01  0.157423D+01  0.242883D+01
      2  -0.168454D+01 -0.536655D+01 -0.403685D+01 -0.184001D+01 -0.141594D+01
      3   0.180005D+01 -0.535910D-01 -0.488202D-02  0.265776D+00 -0.101289D+01
      4  -0.438561D+01  0.309466D+01  0.210823D+01  0.950752D-01  0.155391D+01
      5   0.123384D+01 -0.401150D+01  0.186352D+01  0.386468D+00  0.523181D+01
      6   0.181155D+01 -0.104183D+01  0.125969D+01 -0.467974D+00  0.486900D+00
                76            77            78            79            80 
      1  -0.269406D+00 -0.394261D+01 -0.155852D+01  0.297324D+01 -0.257745D+01
      2   0.133067D+00  0.228963D+01  0.262371D+01 -0.283989D+01  0.260252D+01
      3   0.136339D+00  0.165299D+01 -0.106519D+01 -0.133349D+00 -0.250723D-01
      4   0.409176D+00  0.351969D+00  0.254728D+01  0.364693D+01  0.519948D+01
      5  -0.883313D+00  0.204156D+01 -0.578807D+00  0.755457D+01  0.253064D+01
      6   0.452578D+00  0.121085D+01  0.519057D+01  0.222538D+01  0.709336D+01
                81            82            83            84            85 
      1  -0.124533D+02 -0.122501D+01  0.755303D+01 -0.195329D+01  0.674531D+01
      2  -0.135462D+02  0.370728D+01 -0.108181D+02  0.197308D+01 -0.662343D+01
      3   0.259995D+02 -0.248227D+01  0.326509D+01 -0.197879D-01 -0.121878D+00
      4   0.185999D+01 -0.179931D+01  0.209883D+00 -0.132866D+01  0.458341D+01
      5   0.241863D+02 -0.140829D+01  0.317113D+00 -0.584318D+00  0.858626D+00
      6   0.189047D+02 -0.161213D+01  0.774409D+00 -0.257817D+01  0.486461D+00
                86            87            88            89            90 
      1  -0.232918D+02  0.319936D+01 -0.263739D+01  0.400020D+01 -0.495853D+01
      2   0.393022D+02 -0.536198D+01  0.147977D+01 -0.609484D+01  0.349050D+01
      3  -0.160104D+02  0.216262D+01  0.115761D+01  0.209464D+01  0.146803D+01
      4   0.146837D+02 -0.176636D+01 -0.232484D+01 -0.334310D+01  0.119159D+01
      5  -0.333109D+01  0.328180D+01  0.917862D+00  0.218246D+01  0.448648D+00
      6  -0.397701D+01  0.670380D+01 -0.114327D+01  0.753228D+01 -0.247886D+01
                91            92            93            94            95 
      1   0.576614D+01 -0.265731D+01  0.392949D+01 -0.210414D+01 -0.143116D+01
      2  -0.337990D+01  0.533185D+00 -0.303972D+01  0.732873D+00  0.175619D+01
      3  -0.238624D+01  0.212412D+01 -0.889778D+00  0.137127D+01 -0.325034D+00
      4  -0.723552D+01  0.551206D+01 -0.453316D+01  0.378718D+01 -0.221516D+01
      5   0.701189D+01 -0.272556D+01  0.923213D+01 -0.993504D+00  0.208856D+01
      6  -0.401837D+01  0.191021D+01 -0.596971D+01  0.194861D+01 -0.160323D+01
                96            97            98            99           100 
      1   0.167315D+00  0.576883D+01  0.821863D+00  0.978162D+00  0.147541D+02
      2  -0.111166D+01 -0.605931D+01 -0.102608D+01 -0.835425D+01 -0.369538D+01
      3   0.944341D+00  0.290479D+00  0.204220D+00  0.737609D+01 -0.110587D+02
      4   0.267496D+01 -0.712137D+01  0.664190D+01 -0.767494D+01 -0.199520D+02
      5  -0.104576D+01  0.106685D+02 -0.461612D+01  0.183012D+02 -0.101003D+02
      6   0.351370D+01 -0.747721D+01  0.539897D+01 -0.149275D+02  0.783060D+01
               101           102           103           104           105 
      1  -0.643758D+01 -0.513341D+01 -0.566009D+01  0.401199D+00  0.110396D+01
      2  -0.885271D+00  0.114322D+01 -0.648063D+00  0.521132D+01  0.152856D+01
      3   0.732285D+01  0.399019D+01  0.630815D+01 -0.561252D+01 -0.263252D+01
      4   0.158025D+02  0.774419D+01  0.132846D+02 -0.100836D+02 -0.550860D+01
      5   0.584321D+01  0.892273D+01  0.395752D+01 -0.453690D+01 -0.332262D+01
      6  -0.532201D+01 -0.633815D+01 -0.529032D+01  0.503583D+01  0.507148D+01
               106           107           108           109           110 
      1  -0.676552D+01  0.143711D+01  0.281861D+01 -0.914242D+01  0.156292D+01
      2   0.273127D+01  0.124840D+01 -0.256805D+01  0.766530D+01 -0.210648D+01
      3   0.403425D+01 -0.268552D+01 -0.250560D+00  0.147712D+01  0.543558D+00
      4   0.115764D+02 -0.918168D+01 -0.907583D+01 -0.757524D+01 -0.351114D+01
      5   0.106498D+02 -0.654960D+01 -0.952909D+01  0.124228D+01 -0.233701D+00
      6  -0.860590D+01  0.749501D+01  0.846409D+01  0.844273D+00  0.313193D+00
               111           112           113           114           115 
      1  -0.330154D+00  0.378335D+01 -0.102926D+02  0.451699D+00  0.369571D+00
      2   0.441140D-01 -0.189427D+01  0.155759D+02 -0.377786D+00 -0.286359D+00
      3   0.286040D+00 -0.188908D+01 -0.528329D+01 -0.739125D-01 -0.832115D-01
      4   0.584301D+00  0.686967D+01  0.814155D+01 -0.751440D+00  0.753274D+00
      5  -0.340178D+01 -0.913284D+00 -0.726625D-01  0.192487D+01  0.971173D+00
      6   0.330153D+00 -0.435310D+00 -0.130901D+01  0.305143D+01  0.114162D+01
               116           117 
      1   0.541310D+00 -0.262676D+01
      2  -0.166030D+00  0.150504D+01
      3  -0.375280D+00  0.112172D+01
      4   0.250390D+00  0.113551D+01
      5   0.125820D+01  0.185093D+00
      6   0.375067D+01 -0.516074D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 17:19:17 2021, MaxMem=  5368709120 cpu:            2049.2 elap:             258.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17987 -19.12594 -14.35801 -10.31597 -10.25129
 Alpha  occ. eigenvalues --  -10.19865  -1.09403  -1.01285  -0.91977  -0.76337
 Alpha  occ. eigenvalues --   -0.66517  -0.60143  -0.55818  -0.51456  -0.48566
 Alpha  occ. eigenvalues --   -0.46129  -0.44199  -0.42616  -0.41329  -0.38270
 Alpha  occ. eigenvalues --   -0.37099  -0.32250  -0.31209  -0.26977
 Alpha virt. eigenvalues --   -0.01639   0.01008   0.03543   0.04106   0.04278
 Alpha virt. eigenvalues --    0.07562   0.08835   0.09064   0.10007   0.11035
 Alpha virt. eigenvalues --    0.12597   0.13514   0.13982   0.15015   0.15432
 Alpha virt. eigenvalues --    0.16262   0.16738   0.17861   0.19841   0.21356
 Alpha virt. eigenvalues --    0.22090   0.23116   0.24232   0.25362   0.27371
 Alpha virt. eigenvalues --    0.28351   0.28965   0.29728   0.29977   0.31169
 Alpha virt. eigenvalues --    0.31511   0.33171   0.34425   0.35084   0.35392
 Alpha virt. eigenvalues --    0.36174   0.37106   0.37952   0.38030   0.39102
 Alpha virt. eigenvalues --    0.40949   0.41469   0.42031   0.43873   0.45489
 Alpha virt. eigenvalues --    0.46039   0.46968   0.47439   0.47875   0.49054
 Alpha virt. eigenvalues --    0.49737   0.50946   0.52523   0.52600   0.53316
 Alpha virt. eigenvalues --    0.54873   0.55364   0.57059   0.57348   0.59893
 Alpha virt. eigenvalues --    0.60962   0.61450   0.63411   0.64823   0.65497
 Alpha virt. eigenvalues --    0.67351   0.68788   0.70213   0.72546   0.73502
 Alpha virt. eigenvalues --    0.74422   0.75156   0.76032   0.81241   0.82127
 Alpha virt. eigenvalues --    0.84499   0.87347   0.87853   0.93289   0.94798
 Alpha virt. eigenvalues --    0.98257   0.99653   1.00815   1.01728   1.04294
 Alpha virt. eigenvalues --    1.07938   1.08461   1.12291   1.13243   1.15184
 Alpha virt. eigenvalues --    1.19133   1.22043   1.27411   1.29924   1.33152
 Alpha virt. eigenvalues --    1.39467   1.44322   1.45190   1.50511   1.52027
 Alpha virt. eigenvalues --    1.55919   1.58605   1.62071   1.63819   1.66483
 Alpha virt. eigenvalues --    1.69483   1.71054   1.73991   1.74965   1.80398
 Alpha virt. eigenvalues --    1.81129   1.85032   1.85254   1.87615   1.92116
 Alpha virt. eigenvalues --    1.93841   1.95742   1.96250   1.97583   1.99413
 Alpha virt. eigenvalues --    2.03954   2.06537   2.07281   2.11794   2.13769
 Alpha virt. eigenvalues --    2.17135   2.18028   2.21256   2.25527   2.34192
 Alpha virt. eigenvalues --    2.34522   2.37856   2.40349   2.42467   2.47656
 Alpha virt. eigenvalues --    2.54693   2.60641   2.61921   2.65907   2.81824
 Alpha virt. eigenvalues --    2.83773   2.86262   2.88129   2.93980   2.96734
 Alpha virt. eigenvalues --    3.01102   3.05154   3.06116   3.11382   3.12060
 Alpha virt. eigenvalues --    3.17022   3.26258   3.36345   3.45526   3.54233
 Alpha virt. eigenvalues --    3.60037   3.82302   3.94696
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    3.989403   0.471545  -0.046406  -0.002376  -0.027208   0.005986
     2  C    0.471545   5.326075  -0.186991   0.030819   0.035591  -0.003303
     3  C   -0.046406  -0.186991   5.465625   0.153304  -0.089314  -0.002690
     4  O   -0.002376   0.030819   0.153304   8.294435   0.008233   0.051095
     5  N   -0.027208   0.035591  -0.089314   0.008233   7.035550   0.023130
     6  O    0.005986  -0.003303  -0.002690   0.051095   0.023130   8.099260
     7  H    0.035315   0.253693   0.019918  -0.014859   0.021669   0.005104
     8  H    0.262084   0.110762  -0.009397   0.009481   0.014549   0.001353
     9  H    0.229098   0.086624   0.059452  -0.005560  -0.016503  -0.014529
    10  H    0.270151   0.103642  -0.071142   0.004236   0.001524   0.008257
    11  H   -0.038638  -0.005084   0.015731  -0.004900   0.247663  -0.014480
    12  H   -0.000830   0.127703   0.015426   0.000245   0.117392  -0.000988
    13  H    0.000659  -0.035515   0.151438  -0.029379  -0.048717   0.194251
               7          8          9         10         11         12
     1  C    0.035315   0.262084   0.229098   0.270151  -0.038638  -0.000830
     2  C    0.253693   0.110762   0.086624   0.103642  -0.005084   0.127703
     3  C    0.019918  -0.009397   0.059452  -0.071142   0.015731   0.015426
     4  O   -0.014859   0.009481  -0.005560   0.004236  -0.004900   0.000245
     5  N    0.021669   0.014549  -0.016503   0.001524   0.247663   0.117392
     6  O    0.005104   0.001353  -0.014529   0.008257  -0.014480  -0.000988
     7  H    0.846591  -0.047085   0.012095   0.019950   0.017804  -0.050905
     8  H   -0.047085   0.790806  -0.012515  -0.033853  -0.010920   0.002365
     9  H    0.012095  -0.012515   0.748432  -0.011921   0.005377   0.002111
    10  H    0.019950  -0.033853  -0.011921   0.785214   0.006722  -0.001971
    11  H    0.017804  -0.010920   0.005377   0.006722   0.817551  -0.145927
    12  H   -0.050905   0.002365   0.002111  -0.001971  -0.145927   0.850372
    13  H   -0.009567  -0.001278   0.005314  -0.001810  -0.020980   0.007049
              13
     1  C    0.000659
     2  C   -0.035515
     3  C    0.151438
     4  O   -0.029379
     5  N   -0.048717
     6  O    0.194251
     7  H   -0.009567
     8  H   -0.001278
     9  H    0.005314
    10  H   -0.001810
    11  H   -0.020980
    12  H    0.007049
    13  H    0.533954
 Mulliken charges:
               1
     1  C    0.851218
     2  C   -0.315561
     3  C    0.525047
     4  O   -0.494775
     5  N   -0.323559
     6  O   -0.352445
     7  H   -0.109721
     8  H   -0.076354
     9  H   -0.087474
    10  H   -0.078998
    11  H    0.130084
    12  H    0.077958
    13  H    0.254582
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.608392
     2  C   -0.425282
     3  C    0.525047
     4  O   -0.494775
     5  N   -0.115518
     6  O   -0.097864
 Electronic spatial extent (au):  <R**2>=            580.5809
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.0675    Y=              2.0517    Z=              0.3397  Tot=              5.4777
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.3174   YY=            -38.3703   ZZ=            -34.3327
   XY=              0.4434   XZ=              0.1858   YZ=              0.2393
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.6439   YY=             -0.6968   ZZ=              3.3408
   XY=              0.4434   XZ=              0.1858   YZ=              0.2393
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.5470  YYY=              9.2262  ZZZ=              0.1045  XYY=             -6.7036
  XXY=              8.6090  XXZ=              1.7102  XZZ=             -1.3226  YZZ=              2.7981
  YYZ=             -0.2595  XYZ=              0.3412
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -399.0558 YYYY=           -280.3074 ZZZZ=            -60.6623 XXXY=            -13.5231
 XXXZ=             -2.6131 YYYX=              0.3194 YYYZ=             -1.3698 ZZZX=              0.1760
 ZZZY=             -1.0510 XXYY=           -113.0098 XXZZ=            -71.7424 YYZZ=            -56.2021
 XXYZ=              1.7280 YYXZ=             -2.2862 ZZXY=             -5.5306
 N-N= 2.501766416430D+02 E-N=-1.256031260621D+03  KE= 3.204136902376D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 17:19:19 2021, MaxMem=  5368709120 cpu:               7.2 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.96943793D+00 8.18549406D-01 1.30345559D-01
 Polarizability= 5.46563633D+01-1.15538800D+00 5.65123544D+01
                -5.26764103D-01-6.03702994D-01 4.12617202D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2359    0.2360       -0.5409   -0.5401
 2     -0.2359   -0.2360        0.3016    0.3016        0.7746    0.7744
 3      0.5409    0.5401        7.5051    7.5046       -0.3014   -0.3016
 4     -0.3016   -0.3016       -0.0000    0.0000        0.5402    0.5401
 5     -8.2796   -8.2789       -0.5402   -0.5401        0.2359    0.2360
 6      0.3014    0.3016       -0.2359   -0.2360       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7079   -0.7079       -1.6204   -1.6204
 2     -0.9048   -0.9048        0.0000    0.0000       -1.6204   -1.6204
 3     -0.9048   -0.9048       -0.7079   -0.7079        0.0000    0.0000
 4     -0.7079   -0.7079        0.9048    0.9048        2.3231    2.3231
 5      1.6204    1.6204       22.5137   22.5137       -0.9048   -0.9048
 6    -24.8368  -24.8368       -1.6204   -1.6204        0.7079    0.7079
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0156    0.0000       -0.9440   -0.9439        2.1713    2.1605
 2      0.9420    0.9439       -1.2092   -1.2063       -3.1370   -3.0974
 3     -2.1825   -2.1605      -30.0097  -30.0182        1.2126    1.2063
 4      1.1942    1.2063       -0.0074    0.0000       -2.2183   -2.1605
 5     33.1421   33.1157        2.1715    2.1605       -0.9362   -0.9439
 6     -1.2163   -1.2063        0.9453    0.9439        0.0153    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0053    0.0000        9.1226    9.1464        1.1414    1.1677
 2     -9.1665   -9.1464       -8.6461   -8.6448        5.0341    4.9942
 3     -1.1502   -1.1677        1.3918    1.4204        8.6772    8.6448
 4      8.6757    8.6448        0.0006    0.0000       -1.1391   -1.1677
 5     -6.4708   -6.4146        1.1934    1.1677        9.1463    9.1464
 6     -8.6653   -8.6448       -9.1465   -9.1464       -0.0110    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.4700    9.4896        4.1534    4.1210        1.1995    1.2001
 2     20.5802   20.5662        7.9465    7.9213        1.2114    1.2001
 3     20.5703   20.5662        4.1501    4.1210       -1.9709   -1.9881
 4     -3.8097   -3.8004      -11.0807  -11.0767        0.1825    0.1628
 5     -3.1582   -3.1882        6.8983    6.9030       11.0573   11.0767
 6     -7.1698   -7.0658        3.2306    3.1882        3.8510    3.8004
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9766   -0.0008    0.0003    0.0007    2.6910    4.5146
 Low frequencies ---   57.7836  231.1366  274.9887
 Diagonal vibrational polarizability:
       20.2455547      13.5041867       8.5723095
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7832               231.1366               274.9887
 Red. masses --      3.6767                 1.1212                 1.4513
 Frc consts  --      0.0072                 0.0353                 0.0647
 IR Inten    --      1.0398                 0.4118                18.0214
 RamAct Fr= 1--      0.4122                 0.1291                 0.3328
  Dep-P Fr= 1--      0.7387                 0.7361                 0.7500
  Dep-U Fr= 1--      0.8497                 0.8480                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0584                 0.0182                 0.0475
 AlphaG Fr= 1--     -0.0006                -0.0005                -0.0000
 Gamma2 Fr= 1--      0.2754                 0.0781                 0.0633
 Delta2 Fr= 1--      0.1793                 0.0139                -0.0733
 Raman1 Fr= 1--       1.649                  0.516                  1.331
 ROA1   Fr= 1--      32.174                  7.944                  3.731
 CID1   Fr= 1--      19.514                 15.381                  2.802
 Raman2 Fr= 1--       0.700                  0.219                  0.571
 ROA2   Fr= 1--       5.175                  1.763                  2.105
 CID2   Fr= 1--       7.388                  8.053                  3.689
 Raman3 Fr= 1--       1.401                  0.438                  1.141
 ROA3   Fr= 1--      32.174                  7.944                  3.731
 CID3   Fr= 1--      22.966                 18.139                  3.270
 RC180  Fr= 1--       0.699                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.20     0.05  -0.00  -0.01     0.10  -0.02  -0.02
     2   6     0.00   0.03  -0.02    -0.00   0.00   0.04    -0.01   0.03   0.03
     3   6    -0.01   0.01  -0.03    -0.01   0.01   0.02    -0.03   0.02   0.02
     4   8    -0.05  -0.01  -0.23    -0.02  -0.00  -0.02    -0.09  -0.01   0.01
     5   7     0.00  -0.01  -0.17     0.00   0.00   0.04    -0.02   0.03   0.06
     6   8     0.06   0.04   0.24    -0.01  -0.00  -0.04     0.03  -0.02  -0.07
     7   1     0.04   0.21   0.00    -0.03  -0.01   0.03    -0.03   0.03   0.03
     8   1    -0.01   0.01   0.21    -0.09   0.29  -0.47     0.13  -0.26   0.10
     9   1    -0.04  -0.26   0.19     0.55  -0.29  -0.02    -0.03   0.13  -0.01
    10   1    -0.03  -0.02   0.35    -0.27  -0.02   0.42     0.31   0.03  -0.19
    11   1     0.30  -0.06  -0.30     0.13   0.03  -0.02     0.50   0.13  -0.18
    12   1    -0.25  -0.09  -0.39    -0.11  -0.07  -0.04    -0.48  -0.27  -0.27
    13   1     0.08   0.06   0.26     0.01   0.01   0.04     0.13   0.06   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    279.6225               354.5659               410.0805
 Red. masses --      1.9824                 3.4332                 2.6035
 Frc consts  --      0.0913                 0.2543                 0.2580
 IR Inten    --     11.5845                11.4006                 4.4021
 RamAct Fr= 1--      0.5293                 1.1928                 0.4670
  Dep-P Fr= 1--      0.4653                 0.1994                 0.4976
  Dep-U Fr= 1--      0.6351                 0.3325                 0.6645
 Alpha2 Fr= 1--      0.0030                 0.0162                 0.0023
 Beta2  Fr= 1--      0.0560                 0.0661                 0.0517
 AlphaG Fr= 1--      0.0084                 0.0156                 0.0043
 Gamma2 Fr= 1--     -0.0613                -0.2187                 0.1170
 Delta2 Fr= 1--     -0.0596                -0.0979                -0.0443
 Raman1 Fr= 1--       2.117                  4.771                  1.868
 ROA1   Fr= 1--      -7.786                -24.131                  9.813
 CID1   Fr= 1--      -3.678                 -5.058                  5.253
 Raman2 Fr= 1--       0.672                  0.793                  0.621
 ROA2   Fr= 1--      -0.994                 -4.466                  3.162
 CID2   Fr= 1--      -1.478                 -5.630                  5.095
 Raman3 Fr= 1--       1.345                  1.587                  1.241
 ROA3   Fr= 1--      -7.786                -24.131                  9.813
 CID3   Fr= 1--      -5.791                -15.210                  7.905
 RC180  Fr= 1--       0.270                 -0.335                  0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.04  -0.00    -0.10  -0.01   0.01     0.01   0.19  -0.02
     2   6    -0.01   0.07   0.02     0.02   0.01  -0.14     0.04   0.01   0.19
     3   6    -0.03   0.03   0.01     0.04   0.04  -0.10     0.04  -0.01   0.10
     4   8    -0.14  -0.04  -0.04     0.01   0.03   0.08     0.03  -0.01  -0.07
     5   7    -0.08   0.03  -0.03    -0.23  -0.03   0.09    -0.13  -0.14  -0.09
     6   8     0.07  -0.03   0.03     0.26  -0.01   0.00     0.04  -0.03  -0.02
     7   1    -0.02   0.07   0.02     0.17  -0.06  -0.14    -0.03   0.06   0.19
     8   1     0.15  -0.22  -0.06    -0.09   0.22   0.05    -0.02   0.26  -0.09
     9   1     0.24  -0.05  -0.00    -0.15  -0.19   0.00     0.08   0.52   0.00
    10   1     0.34   0.05   0.03    -0.26  -0.04   0.16    -0.16   0.03  -0.29
    11   1    -0.57  -0.11   0.19    -0.20   0.06   0.07    -0.14  -0.49  -0.08
    12   1     0.33   0.27   0.27    -0.37  -0.38   0.13    -0.20  -0.10  -0.19
    13   1     0.10   0.00  -0.15     0.43   0.14  -0.02     0.06  -0.01  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    530.6052               568.8183               739.1148
 Red. masses --      5.7938                 3.8666                 5.1151
 Frc consts  --      0.9611                 0.7371                 1.6464
 IR Inten    --      1.3248                 4.3907                 8.5197
 RamAct Fr= 1--      3.1238                 3.4317                 3.0943
  Dep-P Fr= 1--      0.3934                 0.3094                 0.0597
  Dep-U Fr= 1--      0.5647                 0.4726                 0.1127
 Alpha2 Fr= 1--      0.0237                 0.0342                 0.0597
 Beta2  Fr= 1--      0.2940                 0.2703                 0.0581
 AlphaG Fr= 1--     -0.0296                 0.0130                 0.0152
 Gamma2 Fr= 1--      0.0683                -0.2432                -0.3077
 Delta2 Fr= 1--      0.0692                 0.0069                 0.0210
 Raman1 Fr= 1--      12.495                 13.727                 12.377
 ROA1   Fr= 1--       8.771                -23.121                -28.865
 CID1   Fr= 1--       0.702                 -1.684                 -2.332
 Raman2 Fr= 1--       3.528                  3.244                  0.697
 ROA2   Fr= 1--       1.085                 -5.891                 -7.552
 CID2   Fr= 1--       0.307                 -1.816                -10.831
 Raman3 Fr= 1--       7.056                  6.487                  1.395
 ROA3   Fr= 1--       8.771                -23.121                -28.865
 CID3   Fr= 1--       1.243                 -3.564                -20.698
 RC180  Fr= 1--       0.129                 -0.055                 -0.775
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.02    -0.14  -0.17  -0.05    -0.05  -0.07  -0.05
     2   6    -0.18   0.14  -0.00    -0.19  -0.06   0.13     0.06   0.01  -0.08
     3   6     0.02  -0.17   0.06    -0.05   0.10   0.17     0.28   0.03   0.36
     4   8     0.34  -0.02  -0.08     0.03   0.16  -0.09    -0.05  -0.21  -0.08
     5   7    -0.20   0.24   0.00     0.09  -0.02  -0.01    -0.08   0.08  -0.01
     6   8    -0.05  -0.21   0.02     0.19  -0.04  -0.08    -0.01   0.18  -0.11
     7   1    -0.28   0.23  -0.01    -0.42  -0.10   0.12    -0.40  -0.06  -0.11
     8   1    -0.01  -0.29  -0.09    -0.17  -0.28  -0.12     0.04   0.12   0.24
     9   1     0.14  -0.10   0.01    -0.07  -0.10  -0.05    -0.34  -0.30  -0.06
    10   1     0.31   0.18   0.14    -0.07  -0.15  -0.09    -0.14  -0.08   0.08
    11   1    -0.12   0.34  -0.04     0.10   0.00  -0.01    -0.11   0.21   0.00
    12   1    -0.27   0.13  -0.00     0.25   0.37  -0.05    -0.07  -0.08   0.09
    13   1     0.03  -0.13   0.09     0.39   0.15  -0.11    -0.27  -0.07   0.12
                     10                     11                     12
                      A                      A                      A
 Frequencies --    804.7202               846.5321               880.2916
 Red. masses --      3.3143                 1.5049                 1.2290
 Frc consts  --      1.2645                 0.6354                 0.5611
 IR Inten    --      6.5787               111.7083                72.3814
 RamAct Fr= 1--      8.5188                 0.8305                 1.9985
  Dep-P Fr= 1--      0.0590                 0.4104                 0.4531
  Dep-U Fr= 1--      0.1115                 0.5819                 0.6236
 Alpha2 Fr= 1--      0.1647                 0.0059                 0.0121
 Beta2  Fr= 1--      0.1583                 0.0805                 0.2077
 AlphaG Fr= 1--     -0.0636                -0.0398                 0.0515
 Gamma2 Fr= 1--     -0.1238                -0.3196                 0.0414
 Delta2 Fr= 1--      0.1004                -0.2035                 0.0514
 Raman1 Fr= 1--      34.075                  3.322                  7.994
 ROA1   Fr= 1--      -8.674                -37.192                  5.620
 CID1   Fr= 1--      -0.255                -11.195                  0.703
 Raman2 Fr= 1--       1.900                  0.967                  2.493
 ROA2   Fr= 1--      -3.775                 -6.042                  0.583
 CID2   Fr= 1--      -1.987                 -6.251                  0.234
 Raman3 Fr= 1--       3.799                  1.933                  4.985
 ROA3   Fr= 1--      -8.674                -37.192                  5.620
 CID3   Fr= 1--      -2.283                -19.239                  1.127
 RC180  Fr= 1--      -0.777                  0.164                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.08  -0.00     0.03   0.07   0.02    -0.02  -0.05  -0.00
     2   6     0.11  -0.01  -0.16    -0.06   0.03  -0.04     0.04  -0.02   0.04
     3   6    -0.13   0.05   0.21     0.01  -0.00  -0.01    -0.01  -0.00  -0.02
     4   8    -0.01   0.15  -0.06     0.01  -0.01   0.01    -0.00   0.01   0.02
     5   7     0.05  -0.05  -0.01    -0.05  -0.15   0.00     0.02   0.08  -0.05
     6   8    -0.07  -0.18  -0.01     0.00   0.01  -0.04    -0.01  -0.01  -0.04
     7   1    -0.14  -0.14  -0.18    -0.10   0.03  -0.04     0.06   0.04   0.04
     8   1     0.21   0.37   0.36     0.04   0.06   0.05    -0.03  -0.01  -0.06
     9   1    -0.26  -0.20  -0.02     0.01   0.01   0.02     0.02   0.07   0.00
    10   1    -0.03   0.08   0.18     0.08   0.11   0.08    -0.10  -0.12  -0.11
    11   1    -0.17  -0.02   0.09     0.26   0.39  -0.11    -0.30  -0.21   0.09
    12   1     0.02  -0.40   0.16     0.34   0.41   0.08    -0.03  -0.14   0.04
    13   1     0.21   0.08   0.06     0.06   0.04   0.62     0.18   0.14   0.84
                     13                     14                     15
                      A                      A                      A
 Frequencies --    939.2088              1020.8481              1081.8120
 Red. masses --      1.4698                 1.3096                 2.3447
 Frc consts  --      0.7639                 0.8041                 1.6168
 IR Inten    --     36.1213                 0.6787                44.5061
 RamAct Fr= 1--      2.5153                 1.3799                 2.5302
  Dep-P Fr= 1--      0.3618                 0.3095                 0.7202
  Dep-U Fr= 1--      0.5314                 0.4727                 0.8373
 Alpha2 Fr= 1--      0.0212                 0.0138                 0.0013
 Beta2  Fr= 1--      0.2228                 0.1087                 0.3531
 AlphaG Fr= 1--      0.0340                -0.0084                -0.0069
 Gamma2 Fr= 1--      0.5988                -0.3834                 0.4439
 Delta2 Fr= 1--      0.4080                -0.3306                 0.0715
 Raman1 Fr= 1--      10.061                  5.519                 10.121
 ROA1   Fr= 1--      70.537                -47.385                 44.900
 CID1   Fr= 1--       7.011                 -8.585                  4.436
 Raman2 Fr= 1--       2.673                  1.305                  4.237
 ROA2   Fr= 1--      11.106                 -6.557                 10.082
 CID2   Fr= 1--       4.154                 -5.026                  2.379
 Raman3 Fr= 1--       5.347                  2.609                  8.475
 ROA3   Fr= 1--      70.537                -47.385                 44.900
 CID3   Fr= 1--      13.193                -18.161                  5.298
 RC180  Fr= 1--       0.063                 -0.055                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.12   0.01    -0.06  -0.01   0.07    -0.13  -0.05  -0.10
     2   6     0.10  -0.01   0.02    -0.01   0.04  -0.08     0.15   0.20   0.02
     3   6    -0.01   0.02   0.01     0.00   0.00   0.07     0.06   0.06   0.03
     4   8    -0.01   0.03  -0.01    -0.00  -0.00  -0.01    -0.02   0.03  -0.01
     5   7    -0.08   0.04  -0.01     0.04  -0.06  -0.01    -0.03  -0.06   0.04
     6   8    -0.02  -0.05   0.02    -0.00   0.01  -0.01    -0.05  -0.09   0.01
     7   1     0.19   0.17   0.03     0.14   0.44  -0.04     0.50   0.12   0.04
     8   1     0.04   0.30  -0.02    -0.19  -0.26  -0.32    -0.14  -0.37  -0.11
     9   1    -0.04   0.26   0.03     0.31   0.32   0.09    -0.06  -0.36  -0.12
    10   1    -0.38  -0.39  -0.30     0.08  -0.02  -0.20     0.16   0.13   0.08
    11   1     0.18   0.41  -0.12    -0.09   0.26   0.05     0.16  -0.33  -0.03
    12   1     0.10   0.32   0.02     0.06  -0.42   0.21     0.03   0.30  -0.11
    13   1    -0.02  -0.04  -0.12     0.01   0.02  -0.06    -0.05  -0.08   0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1147.1333              1212.9292              1234.4147
 Red. masses --      2.3237                 2.3184                 1.8866
 Frc consts  --      1.8016                 2.0096                 1.6938
 IR Inten    --     10.8472                19.4995                 9.6585
 RamAct Fr= 1--      1.6964                 5.2799                 3.8516
  Dep-P Fr= 1--      0.5806                 0.4112                 0.4654
  Dep-U Fr= 1--      0.7347                 0.5827                 0.6352
 Alpha2 Fr= 1--      0.0054                 0.0376                 0.0222
 Beta2  Fr= 1--      0.2077                 0.5128                 0.4077
 AlphaG Fr= 1--     -0.0066                 0.0197                -0.0089
 Gamma2 Fr= 1--      0.3126                -1.6476                 1.6472
 Delta2 Fr= 1--     -0.3617                -0.2279                -0.2061
 Raman1 Fr= 1--       6.785                 21.120                 15.407
 ROA1   Fr= 1--      18.432               -165.458                151.534
 CID1   Fr= 1--       2.716                 -7.834                  9.836
 Raman2 Fr= 1--       2.492                  6.154                  4.893
 ROA2   Fr= 1--      10.395                -37.718                 41.181
 CID2   Fr= 1--       4.171                 -6.130                  8.416
 Raman3 Fr= 1--       4.985                 12.307                  9.786
 ROA3   Fr= 1--      18.432               -165.458                151.534
 CID3   Fr= 1--       3.698                -13.444                 15.485
 RC180  Fr= 1--       0.469                  0.165                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.09  -0.08     0.01   0.00  -0.02    -0.06   0.04  -0.09
     2   6    -0.06   0.24   0.05    -0.04  -0.01   0.07     0.14  -0.07   0.15
     3   6    -0.07  -0.07  -0.05     0.20   0.15  -0.12    -0.08  -0.05  -0.02
     4   8     0.04  -0.04   0.01    -0.06   0.06   0.01     0.01  -0.00   0.01
     5   7     0.07  -0.09   0.03     0.02  -0.02  -0.02    -0.04   0.00  -0.08
     6   8    -0.00   0.06   0.01    -0.01  -0.13   0.03     0.01   0.04   0.00
     7   1    -0.34   0.45   0.05    -0.51   0.22   0.05    -0.06   0.21   0.16
     8   1     0.14   0.31   0.16     0.02   0.01   0.05     0.02  -0.20   0.14
     9   1    -0.35  -0.11  -0.08    -0.08  -0.04  -0.02    -0.05  -0.33  -0.10
    10   1    -0.29  -0.23  -0.02    -0.06  -0.01   0.04     0.15   0.21   0.20
    11   1    -0.05  -0.10   0.09    -0.11   0.23   0.03    -0.01   0.61  -0.08
    12   1     0.04  -0.28   0.10    -0.02  -0.34   0.12     0.12  -0.28   0.23
    13   1     0.09   0.12  -0.07    -0.40  -0.45   0.12     0.12   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1315.1035              1391.3533              1410.0174
 Red. masses --      1.3934                 1.2704                 1.3168
 Frc consts  --      1.4199                 1.4490                 1.5425
 IR Inten    --     10.3296                 6.8389                91.6185
 RamAct Fr= 1--      3.7429                 4.6459                 2.6460
  Dep-P Fr= 1--      0.6822                 0.7394                 0.3241
  Dep-U Fr= 1--      0.8111                 0.8502                 0.4896
 Alpha2 Fr= 1--      0.0045                 0.0008                 0.0252
 Beta2  Fr= 1--      0.5060                 0.6583                 0.2159
 AlphaG Fr= 1--      0.0053                -0.0055                -0.0140
 Gamma2 Fr= 1--     -0.0781                 1.4221                 0.6682
 Delta2 Fr= 1--     -0.0118                -0.8484                -0.0590
 Raman1 Fr= 1--      14.972                 18.584                 10.584
 ROA1   Fr= 1--      -7.876                109.373                 62.257
 CID1   Fr= 1--      -0.526                  5.885                  5.882
 Raman2 Fr= 1--       6.072                  7.900                  2.591
 ROA2   Fr= 1--      -1.780                 40.918                 16.509
 CID2   Fr= 1--      -0.293                  5.180                  6.372
 Raman3 Fr= 1--      12.144                 15.800                  5.182
 ROA3   Fr= 1--      -7.876                109.373                 62.257
 CID3   Fr= 1--      -0.649                  6.922                 12.015
 RC180  Fr= 1--       0.622                  0.700                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.07    -0.03   0.01  -0.01    -0.06  -0.10  -0.04
     2   6    -0.14  -0.08   0.01     0.06  -0.10  -0.05     0.02   0.03   0.01
     3   6     0.01   0.01   0.04    -0.02  -0.01  -0.01    -0.06  -0.04   0.01
     4   8    -0.00   0.01  -0.01    -0.00   0.01   0.00     0.00   0.03  -0.00
     5   7     0.02   0.01  -0.00    -0.01   0.01   0.07    -0.00   0.00  -0.01
     6   8     0.02   0.00  -0.01     0.00   0.01  -0.00     0.06   0.02  -0.01
     7   1     0.76   0.46   0.11    -0.38   0.75  -0.03     0.02  -0.12  -0.00
     8   1     0.12   0.10   0.16     0.03   0.08   0.10     0.03   0.44   0.18
     9   1    -0.16  -0.10  -0.07     0.13  -0.03  -0.01     0.21   0.38   0.01
    10   1    -0.08   0.03   0.16     0.13   0.08  -0.02     0.41   0.21   0.22
    11   1    -0.07   0.02   0.03     0.04  -0.31   0.04     0.00   0.00  -0.01
    12   1    -0.04  -0.03  -0.02    -0.06   0.29  -0.13    -0.00  -0.06   0.03
    13   1    -0.13  -0.14   0.06     0.03   0.03   0.00    -0.36  -0.37   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1414.6718              1491.3144              1500.7296
 Red. masses --      1.4639                 1.0487                 1.0544
 Frc consts  --      1.7261                 1.3741                 1.3992
 IR Inten    --    305.6757                 3.5444                10.8186
 RamAct Fr= 1--      1.9950                 4.4875                 3.6686
  Dep-P Fr= 1--      0.0912                 0.7473                 0.7320
  Dep-U Fr= 1--      0.1672                 0.8554                 0.8453
 Alpha2 Fr= 1--      0.0357                 0.0002                 0.0011
 Beta2  Fr= 1--      0.0556                 0.6397                 0.5168
 AlphaG Fr= 1--     -0.0259                -0.0012                 0.0012
 Gamma2 Fr= 1--      0.1031                -0.9381                -0.2415
 Delta2 Fr= 1--      0.0383                 0.4055                -0.4998
 Raman1 Fr= 1--       7.980                 17.950                 14.674
 ROA1   Fr= 1--      11.120                -77.085                -39.175
 CID1   Fr= 1--       1.394                 -4.294                 -2.670
 Raman2 Fr= 1--       0.667                  7.677                  6.202
 ROA2   Fr= 1--       2.168                -25.760                 -1.798
 CID2   Fr= 1--       3.250                 -3.355                 -0.290
 Raman3 Fr= 1--       1.334                 15.354                 12.404
 ROA3   Fr= 1--      11.120                -77.085                -39.175
 CID3   Fr= 1--       8.335                 -5.021                 -3.158
 RC180  Fr= 1--      -0.666                  0.711                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.04    -0.03   0.02  -0.04     0.04  -0.01  -0.03
     2   6    -0.04  -0.01   0.02    -0.01   0.02  -0.01     0.03  -0.01  -0.02
     3   6     0.09   0.08  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.00
     4   8     0.01  -0.05   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     5   7     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.01
     6   8    -0.09  -0.03   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.08  -0.00   0.03     0.00  -0.07  -0.02    -0.09   0.04  -0.02
     8   1     0.04   0.33   0.14     0.18  -0.28   0.62    -0.02  -0.39  -0.11
     9   1     0.10   0.31  -0.00     0.59   0.06  -0.01    -0.27   0.52   0.01
    10   1     0.27   0.17   0.24    -0.35  -0.13   0.01    -0.29   0.04   0.62
    11   1    -0.04   0.08   0.01    -0.01   0.01   0.01     0.01  -0.04   0.00
    12   1    -0.00  -0.01  -0.02    -0.01   0.00  -0.01    -0.00   0.05  -0.02
    13   1     0.50   0.53  -0.17     0.00   0.00  -0.00    -0.01  -0.01   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1659.4813              1838.8535              3034.2897
 Red. masses --      1.0914                 9.6535                 1.0479
 Frc consts  --      1.7708                19.2322                 5.6843
 IR Inten    --     35.0591               312.5112                 8.0170
 RamAct Fr= 1--      4.7219                15.3166               220.8707
  Dep-P Fr= 1--      0.5861                 0.2939                 0.0373
  Dep-U Fr= 1--      0.7390                 0.4543                 0.0719
 Alpha2 Fr= 1--      0.0145                 0.1600                 4.4968
 Beta2  Fr= 1--      0.5816                 1.1598                 2.6450
 AlphaG Fr= 1--     -0.0044                 0.1774                -0.0701
 Gamma2 Fr= 1--      0.0289                 1.0814                -0.1673
 Delta2 Fr= 1--     -0.0498                 0.1506                 0.1098
 Raman1 Fr= 1--      18.887                 61.266                883.483
 ROA1   Fr= 1--       1.182                108.636                -12.551
 CID1   Fr= 1--       0.063                  1.773                 -0.014
 Raman2 Fr= 1--       6.979                 13.917                 31.740
 ROA2   Fr= 1--       1.092                 24.749                 -4.894
 CID2   Fr= 1--       0.156                  1.778                 -0.154
 Raman3 Fr= 1--      13.958                 27.834                 63.480
 ROA3   Fr= 1--       1.182                108.636                -12.551
 CID3   Fr= 1--       0.085                  3.903                 -0.198
 RC180  Fr= 1--       0.478                 -0.091                 -0.856
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.02  -0.04
     2   6    -0.03  -0.01  -0.00     0.03  -0.03  -0.00    -0.00  -0.00   0.03
     3   6     0.01   0.01  -0.00    -0.37   0.61  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.00   0.00     0.23  -0.38   0.00    -0.00   0.00   0.00
     5   7    -0.05   0.05  -0.02     0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00  -0.00   0.00     0.06  -0.04  -0.01    -0.00  -0.00   0.00
     7   1     0.01   0.03   0.00    -0.03   0.03  -0.00     0.03   0.03  -0.41
     8   1     0.01   0.01   0.03    -0.02  -0.10  -0.04     0.43  -0.01  -0.15
     9   1     0.01   0.02  -0.00    -0.03  -0.00   0.01    -0.02  -0.05   0.72
    10   1    -0.01  -0.00   0.01    -0.07  -0.00   0.01    -0.13   0.27  -0.09
    11   1     0.51  -0.43  -0.24    -0.00   0.01   0.00     0.00  -0.00   0.01
    12   1     0.37  -0.24   0.54    -0.01  -0.03  -0.01    -0.00  -0.00   0.00
    13   1     0.02   0.02  -0.02    -0.38  -0.32   0.12     0.00   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3042.8332              3097.9958              3134.0153
 Red. masses --      1.0737                 1.1007                 1.0997
 Frc consts  --      5.8570                 6.2242                 6.3637
 IR Inten    --     18.0732                26.5169                 6.5114
 RamAct Fr= 1--     34.1918                62.5149                60.6476
  Dep-P Fr= 1--      0.7000                 0.4928                 0.5930
  Dep-U Fr= 1--      0.8235                 0.6602                 0.7445
 Alpha2 Fr= 1--      0.0298                 0.3191                 0.1772
 Beta2  Fr= 1--      4.6930                 6.8791                 7.5250
 AlphaG Fr= 1--      0.0067                 0.1482                -0.2189
 Gamma2 Fr= 1--      0.6003                 3.4135                -5.1755
 Delta2 Fr= 1--     -0.2407                 2.5469                -1.3242
 Raman1 Fr= 1--     136.767                250.060                242.591
 ROA1   Fr= 1--      49.924                409.196               -539.219
 CID1   Fr= 1--       0.365                  1.636                 -2.223
 Raman2 Fr= 1--      56.315                 82.550                 90.300
 ROA2   Fr= 1--      16.332                 61.549               -113.618
 CID2   Fr= 1--       0.290                  0.746                 -1.258
 Raman3 Fr= 1--     112.631                165.099                180.601
 ROA3   Fr= 1--      49.924                409.196               -539.219
 CID3   Fr= 1--       0.443                  2.478                 -2.986
 RC180  Fr= 1--       0.647                  0.320                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00    -0.05  -0.01   0.07     0.06  -0.07   0.02
     2   6     0.00   0.01  -0.07    -0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1    -0.06  -0.06   0.88     0.01   0.01  -0.17    -0.00   0.00  -0.03
     8   1     0.32  -0.01  -0.11     0.71  -0.02  -0.22    -0.33   0.00   0.12
     9   1    -0.01  -0.01   0.22    -0.00   0.04  -0.62     0.01   0.00  -0.18
    10   1    -0.09   0.18  -0.06    -0.08   0.14  -0.03    -0.37   0.80  -0.24
    11   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3444.9924              3500.6117              3585.0116
 Red. masses --      1.0641                 1.0513                 1.0923
 Frc consts  --      7.4406                 7.5906                 8.2713
 IR Inten    --    266.6345                 0.5317                 9.9231
 RamAct Fr= 1--     84.0644               105.1353                68.1297
  Dep-P Fr= 1--      0.0871                 0.0855                 0.5420
  Dep-U Fr= 1--      0.1602                 0.1576                 0.7029
 Alpha2 Fr= 1--      1.5190                 1.9068                 0.2724
 Beta2  Fr= 1--      2.2442                 2.7610                 7.9819
 AlphaG Fr= 1--      0.2089                -0.1985                 0.2146
 Gamma2 Fr= 1--      0.1830                -1.2204                 0.9888
 Delta2 Fr= 1--      1.2364                -0.0006                -1.6508
 Raman1 Fr= 1--     336.257                420.541                272.519
 ROA1   Fr= 1--      57.130               -117.176                 42.100
 CID1   Fr= 1--       0.170                 -0.279                  0.154
 Raman2 Fr= 1--      26.931                 33.133                 95.783
 ROA2   Fr= 1--      -5.500                -29.285                 36.938
 CID2   Fr= 1--      -0.204                 -0.884                  0.386
 Raman3 Fr= 1--      53.861                 66.265                191.566
 ROA3   Fr= 1--      57.130               -117.176                 42.100
 CID3   Fr= 1--       1.061                 -1.768                  0.220
 RC180  Fr= 1--      -0.680                 -0.685                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.01  -0.00   0.00    -0.05   0.01  -0.03    -0.03   0.02   0.07
     6   8     0.04  -0.04  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     7   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00  -0.02
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.04  -0.00  -0.08     0.32   0.00   0.78    -0.22  -0.00  -0.46
    12   1    -0.05   0.02   0.05     0.33  -0.19  -0.36     0.58  -0.30  -0.55
    13   1    -0.67   0.73   0.02    -0.08   0.09   0.00    -0.01   0.02   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    89.04768 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   369.46428 525.57134 834.82501
           X            0.99801   0.06280   0.00550
           Y           -0.06285   0.99799   0.00854
           Z           -0.00495  -0.00887   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.23443     0.16480     0.10375
 Rotational constants (GHZ):           4.88475     3.43387     2.16182
 Zero-point vibrational energy     283968.8 (Joules/Mol)
                                   67.87018 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.14   332.55   395.65   402.31   510.14
          (Kelvin)            590.01   763.42   818.40  1063.42  1157.81
                             1217.97  1266.54  1351.31  1468.77  1556.49
                             1650.47  1745.13  1776.05  1892.14  2001.85
                             2028.70  2035.40  2145.67  2159.22  2387.62
                             2645.70  4365.67  4377.96  4457.32  4509.15
                             4956.58  5036.60  5158.03
 
 Zero-point correction=                           0.108158 (Hartree/Particle)
 Thermal correction to Energy=                    0.114761
 Thermal correction to Enthalpy=                  0.115706
 Thermal correction to Gibbs Free Energy=         0.077731
 Sum of electronic and zero-point Energies=           -323.796587
 Sum of electronic and thermal Energies=              -323.789984
 Sum of electronic and thermal Enthalpies=            -323.789040
 Sum of electronic and thermal Free Energies=         -323.827015
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.014             23.351             79.925
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.372
 Rotational               0.889              2.981             26.586
 Vibrational             70.236             17.389             13.967
 Vibration     1          0.596              1.974              4.531
 Vibration     2          0.653              1.793              1.870
 Vibration     3          0.677              1.720              1.565
 Vibration     4          0.680              1.711              1.536
 Vibration     5          0.730              1.566              1.146
 Vibration     6          0.774              1.448              0.926
 Vibration     7          0.886              1.182              0.586
 Vibration     8          0.925              1.099              0.507
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.176363D-35        -35.753591        -82.325687
 Total V=0       0.989913D+14         13.995597         32.226053
 Vib (Bot)       0.370489D-48        -48.431225       -111.517016
 Vib (Bot)    1  0.357465D+01          0.553234          1.273868
 Vib (Bot)    2  0.851704D+00         -0.069711         -0.160516
 Vib (Bot)    3  0.700997D+00         -0.154284         -0.355252
 Vib (Bot)    4  0.687712D+00         -0.162593         -0.374385
 Vib (Bot)    5  0.518804D+00         -0.284997         -0.656229
 Vib (Bot)    6  0.431406D+00         -0.365114         -0.840705
 Vib (Bot)    7  0.301238D+00         -0.521090         -1.199854
 Vib (Bot)    8  0.270886D+00         -0.567214         -1.306058
 Vib (V=0)       0.207952D+02          1.317964          3.034724
 Vib (V=0)    1  0.410945D+01          0.613784          1.413289
 Vib (V=0)    2  0.148762D+01          0.172493          0.397180
 Vib (V=0)    3  0.136104D+01          0.133872          0.308252
 Vib (V=0)    4  0.135026D+01          0.130419          0.300300
 Vib (V=0)    5  0.122053D+01          0.086547          0.199282
 Vib (V=0)    6  0.116039D+01          0.064603          0.148754
 Vib (V=0)    7  0.108373D+01          0.034922          0.080412
 Vib (V=0)    8  0.106866D+01          0.028841          0.066410
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.330284D+08          7.518888         17.312879
 Rotational      0.144127D+06          5.158745         11.878450
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3 3 3          3 333                                         1      1    11111  1  11 1 1 1                                    
      5 5 4          1 000                                         8      6    54443  3  22 1 0 0  9 8 88 7     5 5   4 3 222        
      8 0 4          3 943                                         3      5    09119  1  31 4 8 2  3 8 40 3     6 3   1 5 873     5  
      5 1 5          4 834                                         9      9    11501  5  43 7 2 1  9 0 75 9     9 1   0 5 051     8  
 
      X X X          X XXX                                         X      X    XXXXX  X  XX X X X  X X XX X     X X   X X XXX     X  
          X            X                                           X      X      XX           X    X X X                             
          X                                                        X             XX           X      X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                  X X                             
          X                                                        X             XX                    X                             
          X                                                        X             X                     X                             
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
          X                                                        X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
                                                                   X             X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011566   -0.000004009   -0.000001502
      2        6           0.000022749    0.000009789   -0.000008385
      3        6          -0.000039041   -0.000008523    0.000008490
      4        8           0.000006385   -0.000009368    0.000000079
      5        7           0.000007820   -0.000004674   -0.000002018
      6        8          -0.000016107    0.000022782   -0.000002887
      7        1          -0.000000958   -0.000006978    0.000004706
      8        1          -0.000002105    0.000002909   -0.000001779
      9        1          -0.000003224    0.000001910    0.000000430
     10        1          -0.000002183    0.000002641    0.000000762
     11        1          -0.000002890    0.000002049   -0.000000885
     12        1          -0.000001593   -0.000000872    0.000002398
     13        1           0.000019581   -0.000007656    0.000000592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039041 RMS     0.000010236
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.553672D+00
      2 -0.493741D-01  0.513378D+00
      3 -0.212447D-01 -0.364314D-01  0.547200D+00
      4 -0.110596D+00 -0.334432D-01 -0.251022D-01  0.445291D+00
      5 -0.439173D-01 -0.126987D+00 -0.377217D-01  0.451041D-02  0.475439D+00
      6 -0.302709D-01 -0.314890D-01 -0.991322D-01  0.191190D-02 -0.678461D-02
      7 -0.232467D-01 -0.138142D-01  0.172997D-02 -0.140724D+00  0.508923D-02
      8 -0.249321D-01  0.284929D-02  0.720795D-02 -0.170457D-01 -0.688647D-01
      9 -0.155749D-01  0.319883D-02  0.550874D-02  0.148585D-01 -0.728748D-02
     10  0.398955D-03  0.164560D-02  0.972246D-03 -0.153433D-01  0.347697D-01
     11 -0.189020D-02 -0.312163D-02 -0.550199D-03  0.172659D-01 -0.105282D-01
     12  0.153360D-02 -0.197282D-03 -0.409008D-04  0.479887D-02 -0.466705D-02
     13  0.748745D-02 -0.131318D-01  0.408234D-02 -0.808063D-01  0.631939D-01
     14  0.150010D-01 -0.399341D-01  0.104863D-01  0.181201D-01 -0.165096D+00
     15  0.523512D-02 -0.860519D-02  0.411428D-02  0.211138D-03  0.260658D-01
     16 -0.438377D-02  0.197991D-02  0.360328D-02 -0.207778D-01 -0.299114D-01
     17 -0.218483D-02  0.263325D-02  0.137880D-02 -0.761547D-02 -0.164771D-01
     18  0.362779D-02 -0.240479D-02 -0.234819D-02  0.105198D-01  0.141949D-01
     19  0.959342D-03 -0.541575D-03 -0.193726D-01 -0.481589D-01 -0.899504D-03
     20  0.213696D-03 -0.926855D-04 -0.270035D-01  0.156194D-02 -0.458275D-01
     21  0.216054D-04 -0.177243D-02 -0.137521D-01  0.153961D-01  0.177815D-01
     22 -0.283179D+00  0.733605D-02  0.783986D-01 -0.176018D-01  0.196382D-02
     23  0.950882D-02 -0.470759D-01 -0.186254D-02 -0.276972D-01 -0.183090D-02
     24  0.800150D-01 -0.245739D-02 -0.745804D-01 -0.153424D-01  0.505306D-03
     25 -0.479660D-01 -0.102126D-02  0.694868D-02 -0.137672D-02  0.116716D-02
     26 -0.208638D-03 -0.483634D-01  0.204163D-01 -0.711313D-03 -0.907026D-03
     27  0.568100D-02  0.193669D-01 -0.303384D+00 -0.168002D-02  0.827147D-03
     28 -0.929360D-01  0.995437D-01 -0.303565D-01  0.782462D-02 -0.132893D-01
     29  0.951293D-01 -0.253693D+00  0.616576D-01  0.104076D-01 -0.200531D-01
     30 -0.293935D-01  0.627864D-01 -0.661905D-01  0.732188D-02 -0.111651D-01
     31  0.680705D-03 -0.311889D-03  0.637447D-03 -0.543741D-02 -0.514797D-02
     32 -0.527853D-03  0.289108D-02  0.204432D-02  0.147486D-01 -0.356598D-02
     33  0.117296D-02 -0.242318D-02  0.318478D-02 -0.500205D-02  0.427823D-03
     34  0.902079D-03 -0.111008D-02 -0.853293D-04 -0.100970D-01 -0.406519D-02
     35  0.174815D-02 -0.112729D-02  0.345965D-03  0.241191D-01 -0.143234D-01
     36 -0.384064D-03  0.173777D-03 -0.741434D-03 -0.933341D-02  0.602318D-02
     37 -0.179324D-02  0.224275D-02 -0.211256D-03 -0.219684D-02 -0.134636D-01
     38  0.143409D-02 -0.135744D-02  0.321171D-04 -0.422068D-02 -0.977778D-03
     39 -0.419070D-03  0.254727D-03  0.161375D-03  0.144183D-02  0.180036D-02
                6             7             8             9            10 
      6  0.572598D+00
      7  0.107125D-01  0.625306D+00
      8  0.563863D-03 -0.216376D+00  0.917842D+00
      9 -0.954093D-01 -0.513494D-01 -0.420578D-01  0.244851D+00
     10  0.208307D-02 -0.288172D+00  0.282127D+00  0.496956D-02  0.280713D+00
     11 -0.111276D-02  0.294344D+00 -0.559872D+00  0.327117D-02 -0.323133D+00
     12  0.191768D-01  0.387038D-02  0.504813D-02 -0.778894D-01 -0.670722D-02
     13 -0.134613D-01 -0.177915D-01  0.193185D-01 -0.614385D-02 -0.674724D-02
     14  0.183846D-01  0.864381D-02 -0.189020D-01  0.357851D-02  0.543818D-02
     15 -0.105223D+00  0.236165D-02 -0.576719D-02  0.254382D-02  0.300632D-02
     16  0.103703D-01 -0.184150D+00 -0.530851D-01  0.309063D-01  0.387660D-01
     17  0.821708D-02 -0.106361D+00 -0.206235D+00  0.388343D-01  0.331692D-03
     18  0.186876D-01  0.371141D-01  0.283578D-01 -0.669406D-01 -0.420265D-02
     19  0.263215D-01 -0.244197D-02 -0.768497D-03  0.363761D-01 -0.149727D-02
     20  0.102470D-01 -0.139563D-02  0.334406D-03 -0.810196D-03  0.915874D-03
     21 -0.300021D+00  0.325344D-02  0.376795D-03 -0.101252D-01  0.397540D-03
     22  0.448794D-02  0.104775D-02 -0.158238D-02 -0.237060D-02 -0.274102D-03
     23  0.700641D-02  0.154823D-02 -0.544569D-02 -0.318740D-02 -0.116635D-03
     24  0.353665D-02 -0.482629D-03 -0.324202D-02 -0.813577D-03 -0.257683D-03
     25 -0.195679D-01  0.178023D-02 -0.396467D-03 -0.146530D-02 -0.443632D-03
     26 -0.270870D-01  0.166837D-02  0.702108D-03 -0.284286D-04 -0.109365D-04
     27 -0.144823D-01  0.186422D-02 -0.510272D-03 -0.574396D-04 -0.755762D-03
     28  0.638465D-02  0.707371D-03 -0.202671D-02  0.632463D-03 -0.189750D-02
     29  0.798625D-02  0.170909D-02 -0.347112D-02  0.335715D-03  0.711297D-03
     30  0.301126D-02 -0.337160D-03  0.725183D-03  0.467299D-03 -0.198739D-03
     31 -0.789389D-02  0.377757D-03  0.261503D-02 -0.255285D-02 -0.781896D-03
     32  0.362675D-01 -0.565112D-03 -0.382726D-03  0.884326D-03  0.460447D-03
     33 -0.904029D-02  0.177091D-03  0.333652D-03 -0.325720D-03  0.190084D-03
     34  0.490376D-02 -0.230233D-04  0.165649D-02 -0.893850D-03 -0.192770D-02
     35 -0.219916D-01 -0.278820D-02 -0.596732D-02  0.198663D-02  0.180286D-02
     36  0.750285D-02 -0.358238D-03  0.291257D-02  0.103680D-03 -0.165071D-02
     37  0.401837D-02  0.273296D-01  0.104959D-01 -0.739220D-02 -0.279255D-02
     38 -0.207601D-03  0.282978D-01 -0.525872D-01  0.128188D-02 -0.494179D-02
     39 -0.120558D-02 -0.855587D-02  0.605135D-02 -0.191347D-02  0.215395D-02
               11            12            13            14            15 
     11  0.677888D+00
     12 -0.165515D-01  0.355410D-01
     13  0.764545D-02  0.172736D-02  0.429196D+00
     14  0.497443D-03 -0.586781D-03 -0.193521D+00  0.345620D+00
     15 -0.156049D-02  0.101022D-02 -0.169603D-01  0.568471D-01  0.676806D+00
     16  0.184775D-01 -0.664441D-02 -0.178039D-01  0.727851D-03  0.410130D-02
     17 -0.108125D+00  0.154541D-01  0.163506D-01  0.525485D-02 -0.290265D-02
     18  0.120851D-01  0.140695D-01  0.183955D-03 -0.416243D-03  0.544278D-02
     19  0.424518D-04 -0.444302D-02 -0.953646D-03  0.489814D-02 -0.152304D-01
     20 -0.236857D-03  0.290874D-03  0.244925D-02 -0.927026D-02  0.342753D-01
     21  0.209384D-03  0.184890D-02 -0.821886D-03  0.280283D-02 -0.831212D-02
     22 -0.494572D-03  0.265457D-03  0.238531D-02  0.636197D-03 -0.928904D-04
     23  0.193817D-02  0.663194D-03  0.126913D-02  0.283317D-02  0.534454D-04
     24  0.388651D-03  0.401628D-03  0.218205D-04  0.107570D-02 -0.708044D-04
     25  0.552243D-03  0.756423D-03 -0.224216D-03  0.122364D-02  0.796901D-03
     26  0.254153D-03 -0.338991D-03 -0.642859D-04  0.295221D-02 -0.711795D-03
     27  0.517780D-03  0.413318D-03  0.321515D-03  0.439896D-03  0.201341D-02
     28  0.794228D-03 -0.102939D-03 -0.837624D-03 -0.462041D-02 -0.118426D-02
     29  0.284403D-02 -0.633922D-04 -0.284656D-02 -0.492938D-02 -0.202561D-02
     30 -0.385106D-03 -0.688211D-03 -0.217689D-02 -0.381626D-02  0.288041D-03
     31 -0.103829D-03  0.734959D-03 -0.103977D+00  0.221000D-01 -0.164216D+00
     32 -0.562080D-03 -0.611128D-03  0.112642D-01 -0.419839D-01 -0.322397D-01
     33 -0.149446D-03 -0.152100D-04 -0.125843D+00 -0.594705D-02 -0.353871D+00
     34  0.176950D-02  0.322059D-03 -0.216923D+00  0.120777D+00  0.185722D+00
     35  0.225868D-03 -0.405629D-03  0.894031D-01 -0.716301D-01 -0.628321D-01
     36  0.546217D-03  0.227972D-04  0.160239D+00 -0.820402D-01 -0.216153D+00
     37 -0.152691D-01  0.388849D-02  0.699624D-02  0.575045D-03 -0.375097D-02
     38 -0.120090D-02  0.196547D-02 -0.133059D-02 -0.541152D-02 -0.596808D-03
     39  0.329129D-02  0.614958D-02 -0.116869D-02 -0.808253D-03 -0.858898D-02
               16            17            18            19            20 
     16  0.449117D+00
     17 -0.923251D-01  0.522741D+00
     18 -0.611647D-01 -0.489899D-01  0.529998D-01
     19 -0.362269D-02 -0.219109D-02 -0.385046D-02  0.551533D-01
     20 -0.498620D-03  0.458030D-03 -0.567695D-03 -0.189361D-02  0.600433D-01
     21  0.114632D-02 -0.187353D-03  0.683910D-03 -0.170882D-01 -0.187128D-01
     22 -0.991087D-03 -0.112773D-02  0.643738D-03  0.648206D-03  0.363313D-03
     23 -0.176799D-02 -0.754277D-03  0.118566D-02  0.111877D-02  0.107444D-02
     24 -0.122435D-02 -0.506309D-03  0.599801D-03 -0.711963D-04  0.945151D-03
     25 -0.589166D-04  0.152382D-03  0.236792D-03 -0.121016D-02 -0.300408D-02
     26  0.819454D-04 -0.332745D-03  0.188684D-03 -0.298546D-02 -0.353274D-02
     27 -0.621020D-03 -0.506558D-03  0.151032D-03 -0.168994D-02 -0.197584D-02
     28  0.164630D-03  0.113700D-02 -0.275253D-03  0.767320D-03  0.476622D-03
     29 -0.376773D-03  0.165004D-02 -0.152275D-03  0.280802D-03  0.759568D-03
     30  0.976501D-05 -0.822427D-04  0.101745D-03  0.655318D-03  0.362219D-03
     31 -0.161589D-02 -0.265498D-03  0.236852D-02 -0.804854D-04  0.278362D-03
     32 -0.767178D-03  0.477548D-03  0.115834D-02  0.302683D-02 -0.575501D-02
     33  0.664187D-03 -0.674077D-03 -0.510944D-03 -0.144283D-02  0.162177D-02
     34 -0.220804D-02  0.106879D-02 -0.796286D-03  0.993839D-03 -0.111742D-03
     35 -0.298361D-02  0.272305D-02 -0.119956D-02 -0.606680D-03  0.228231D-02
     36 -0.126351D-02  0.279245D-03  0.260281D-03 -0.991809D-03  0.101832D-02
     37 -0.252436D+00  0.193031D+00  0.155946D-01 -0.556806D-03  0.644632D-03
     38  0.160449D+00 -0.204013D+00 -0.343991D-02  0.519430D-03 -0.237010D-03
     39  0.201165D-01 -0.103144D-01 -0.231967D-01  0.827535D-03  0.309360D-03
               21            22            23            24            25 
     21  0.325662D+00
     22 -0.287119D-03  0.308905D+00
     23  0.421063D-03 -0.631827D-02  0.491285D-01
     24  0.941383D-03 -0.853345D-01  0.507099D-02  0.768063D-01
     25 -0.147271D-02  0.724988D-03 -0.274458D-02  0.308970D-01  0.480303D-01
     26 -0.212948D-02  0.151169D-03 -0.105904D-02 -0.123581D-02  0.379419D-02
     27  0.627938D-03  0.195650D-03  0.993038D-03 -0.884608D-02 -0.429489D-02
     28  0.614643D-04 -0.110027D-01  0.261441D-01 -0.868009D-02  0.879084D-04
     29 -0.294954D-03 -0.240681D-03  0.145980D-02 -0.799395D-03  0.127332D-03
     30  0.401913D-03  0.382229D-02 -0.104643D-01  0.218906D-02 -0.132463D-01
     31  0.458752D-03 -0.943889D-04 -0.162585D-03  0.431479D-03  0.530085D-03
     32  0.162526D-02 -0.354945D-03 -0.402648D-03  0.259003D-04  0.115113D-03
     33  0.126640D-02  0.280719D-03  0.485243D-03 -0.194403D-03  0.504144D-03
     34 -0.718146D-03 -0.708653D-04 -0.738556D-04  0.207986D-03 -0.261028D-04
     35 -0.124804D-04 -0.690516D-03 -0.430707D-03 -0.403411D-04  0.357844D-04
     36  0.119604D-02  0.242688D-04 -0.233454D-03  0.135206D-03  0.486344D-04
     37 -0.347196D-03 -0.497342D-03 -0.707939D-03 -0.180548D-03  0.152245D-03
     38 -0.107392D-03  0.358543D-03  0.565162D-03  0.269574D-03 -0.145213D-05
     39 -0.417879D-03 -0.335711D-04 -0.131313D-03 -0.104702D-03 -0.141535D-03
               26            27            28            29            30 
     26  0.510939D-01
     27 -0.186359D-01  0.331542D+00
     28 -0.208134D-02  0.641372D-03  0.973127D-01
     29 -0.645979D-03  0.563953D-03 -0.105580D+00  0.276317D+00
     30  0.287183D-01 -0.794654D-02  0.331426D-01 -0.664191D-01  0.682806D-01
     31  0.563178D-03  0.347101D-03 -0.228340D-03  0.109618D-04  0.737946D-04
     32 -0.367433D-03 -0.139612D-02  0.150938D-03  0.604401D-03 -0.415284D-03
     33  0.892097D-03 -0.336830D-04 -0.251538D-03 -0.876509D-03 -0.147758D-03
     34  0.462855D-04  0.133291D-03 -0.370226D-03 -0.442904D-03  0.115646D-03
     35  0.899962D-04  0.179697D-03 -0.559928D-03 -0.495955D-03  0.276631D-03
     36  0.448440D-04  0.119881D-03 -0.211663D-04  0.155684D-03  0.218894D-03
     37 -0.243167D-03 -0.142516D-03  0.407887D-03  0.111034D-02  0.211274D-03
     38  0.115957D-03  0.136302D-03 -0.891243D-04 -0.347155D-03 -0.121244D-03
     39 -0.927367D-04 -0.118255D-03  0.914366D-05 -0.679487D-04  0.141677D-04
               31            32            33            34            35 
     31  0.101105D+00
     32 -0.188781D-01  0.497772D-01
     33  0.145375D+00  0.713283D-02  0.381927D+00
     34  0.980144D-02 -0.885676D-02 -0.145888D-01  0.218077D+00
     35 -0.606640D-03 -0.674759D-03 -0.118125D-02 -0.112336D+00  0.888756D-01
     36  0.284329D-01 -0.120276D-01 -0.230637D-01 -0.176023D+00  0.831932D-01
     37 -0.279858D-03  0.183843D-03 -0.123609D-02  0.187156D-02  0.346287D-02
     38 -0.910942D-04 -0.557368D-04  0.358096D-03  0.167835D-02  0.452701D-03
     39 -0.419771D-02 -0.244859D-02  0.825063D-03  0.170012D-02  0.168081D-02
               36            37            38            39 
     36  0.230623D+00
     37  0.128066D-02  0.223795D+00
     38 -0.458117D-04 -0.182062D+00  0.265054D+00
     39 -0.225245D-03 -0.117326D-01  0.475338D-03  0.286207D-01
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600605D+02 -0.108027D+01 -0.471942D+00
      2  -0.108027D+01  0.616092D+02 -0.603173D+00
      3  -0.471942D+00 -0.603173D+00  0.450514D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.662639D+00  0.208423D+01  0.550640D+01
      2  -0.325197D+01 -0.183446D+01 -0.182192D+02
      3   0.364002D+01  0.957442D+01  0.137285D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.414457D+02  0.441772D+00 -0.720929D+00
      2   0.254677D+02 -0.880490D+01  0.126713D+01
      3   0.159781D+02  0.836313D+01 -0.546199D+00
      4  -0.104887D+02 -0.203216D+02 -0.587911D+01
      5  -0.955408D+00 -0.700247D+01 -0.408879D+02
      6  -0.467434D+01 -0.215553D+01 -0.636774D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.531671D+01 -0.512424D+00 -0.229120D+01 -0.167542D+01 -0.322031D+01
      2  -0.512424D+00 -0.444957D+01 -0.154273D+00 -0.322031D+01  0.290401D+01
      3  -0.229120D+01 -0.154273D+00  0.812822D-01 -0.259114D+00 -0.191861D+01
                 6             7             8             9            10 
      1  -0.259114D+00 -0.297938D+01 -0.676077D+00  0.507987D+00 -0.398753D+01
      2  -0.191861D+01 -0.676077D+00 -0.230668D+01  0.209256D-01  0.102720D+01
      3  -0.263214D+00  0.507987D+00  0.209256D-01  0.707145D+01  0.570604D+00
                11            12            13            14            15 
      1   0.102720D+01  0.570604D+00  0.137541D+01  0.283968D+01  0.407589D+00
      2   0.364183D+01  0.396382D+00  0.283968D+01 -0.157517D+01  0.102404D+01
      3   0.396382D+00  0.160430D-01  0.407589D+00  0.102404D+01  0.577260D+00
                16            17            18            19            20 
      1   0.380236D+00  0.108617D+01  0.354226D+00  0.258486D+01  0.658004D+00
      2   0.108617D+01  0.169819D+01  0.251056D+00  0.658004D+00 -0.406919D+01
      3   0.354226D+00  0.251056D+00 -0.726991D+01  0.122900D-01  0.265255D+00
                21            22            23            24            25 
      1   0.122900D-01  0.279900D+01 -0.459690D+01  0.144439D+00 -0.636139D+00
      2   0.265255D+00 -0.459690D+01  0.339323D+01  0.959391D-01  0.527801D+00
      3  -0.479337D-01  0.144439D+00  0.959391D-01  0.595819D+00  0.766027D-01
                26            27            28            29            30 
      1   0.527801D+00  0.766027D-01  0.564988D+01 -0.415544D+01  0.221880D+00
      2  -0.377067D+00  0.249934D+00 -0.415544D+01  0.434526D+01 -0.295034D+00
      3   0.249934D+00  0.591929D+00  0.221880D+00 -0.295034D+00  0.118721D+01
                31            32            33            34            35 
      1  -0.509052D+01  0.397858D+01  0.230932D-01  0.398252D+00 -0.353136D-01
      2   0.397858D+01 -0.101655D+02  0.112376D+00 -0.353136D-01  0.564835D-01
      3   0.230932D-01  0.112376D+00 -0.231706D+01  0.199206D+01 -0.278406D+01
                36            37            38            39            40 
      1   0.199206D+01  0.367846D+01 -0.205815D+01 -0.779959D+00 -0.160109D+01
      2  -0.278406D+01 -0.205815D+01  0.124739D+00  0.318954D+00 -0.575229D+00
      3   0.136657D+00 -0.779959D+00  0.318954D+00  0.285311D+01  0.456098D+00
                41            42            43            44            45 
      1  -0.575229D+00  0.456098D+00 -0.104732D+01  0.620557D+00  0.311201D+01
      2   0.474526D+01 -0.843600D+00  0.620557D+00 -0.960657D+00 -0.618209D+00
      3  -0.843600D+00 -0.262609D+00  0.311201D+01 -0.618209D+00  0.305341D+01
                46            47            48            49            50 
      1   0.727677D+01  0.168062D+01 -0.688522D+00 -0.225203D+01  0.397654D+01
      2   0.168062D+01  0.400652D+01 -0.415208D+00  0.397654D+01  0.237969D+01
      3  -0.688522D+00 -0.415208D+00  0.860106D+00  0.816603D-02 -0.389216D+00
                51            52            53            54            55 
      1   0.816603D-02 -0.854721D+00 -0.533913D+00  0.127820D+01  0.132703D+00
      2  -0.389216D+00 -0.533913D+00 -0.447487D+00  0.177187D+01 -0.180112D+00
      3   0.843047D+00  0.127820D+01  0.177187D+01 -0.113917D+01  0.100805D+01
                56            57            58            59            60 
      1  -0.180112D+00  0.100805D+01 -0.533080D+00 -0.728420D+00  0.250934D-01
      2  -0.734287D+00 -0.202590D-01 -0.728420D+00  0.327888D-01  0.111916D+01
      3  -0.202590D-01 -0.481000D+00  0.250934D-01  0.111916D+01 -0.479031D+00
                61            62            63            64            65 
      1   0.178814D+01 -0.146274D+00 -0.663083D+00 -0.942508D+01 -0.143451D+01
      2  -0.146274D+00  0.144710D+01 -0.519599D-01 -0.143451D+01 -0.127737D+01
      3  -0.663083D+00 -0.519599D-01  0.909728D+01  0.149399D+01  0.111430D+00
                66            67            68            69            70 
      1   0.149399D+01  0.248064D+00 -0.843431D+00  0.137798D+00  0.235760D+01
      2   0.111430D+00 -0.843431D+00 -0.632663D+00  0.502316D+00  0.392093D+00
      3  -0.150217D+01  0.137798D+00  0.502316D+00  0.908150D-01 -0.148898D+01
                71            72            73            74            75 
      1   0.392093D+00 -0.148898D+01 -0.769861D+00 -0.127863D+00 -0.721688D+00
      2   0.994621D+00 -0.222904D+00 -0.127863D+00  0.576969D+00  0.633413D-01
      3  -0.222904D+00  0.347410D+00 -0.721688D+00  0.633413D-01  0.651444D-01
                76            77            78            79            80 
      1   0.342638D+00  0.199343D+00  0.143723D+00 -0.130518D+01 -0.372892D+00
      2   0.199343D+00 -0.462859D+00 -0.800134D+00 -0.372892D+00 -0.167639D+01
      3   0.143723D+00 -0.800134D+00  0.294238D+00 -0.100394D+01 -0.951921D+00
                81            82            83            84            85 
      1  -0.100394D+01  0.770478D+00 -0.657269D+00  0.508830D+00 -0.139007D+01
      2  -0.951921D+00 -0.657269D+00  0.240279D+01 -0.108020D+00  0.960600D+00
      3  -0.848643D+01  0.508830D+00 -0.108020D+00  0.595084D+00 -0.216988D+00
                86            87            88            89            90 
      1   0.960600D+00 -0.216988D+00  0.801197D+00  0.755406D-01  0.174591D+00
      2  -0.847799D+01  0.102810D+01  0.755406D-01  0.165014D+01 -0.120129D+01
      3   0.102810D+01 -0.130654D+01  0.174591D+00 -0.120129D+01  0.893775D-01
                91            92            93            94            95 
      1  -0.175494D+01  0.120812D+01 -0.148308D+01  0.743033D+00 -0.252819D+00
      2   0.120812D+01 -0.686020D+00  0.627966D+00 -0.252819D+00  0.740476D+00
      3  -0.148308D+01  0.627966D+00 -0.190424D+01  0.293061D+00 -0.506363D+00
                96            97            98            99           100 
      1   0.293061D+00 -0.270056D+01  0.770471D+00 -0.257799D+01 -0.508833D+01
      2  -0.506363D+00  0.770471D+00 -0.202102D+01  0.127853D+01  0.305954D+01
      3   0.195942D+00 -0.257799D+01  0.127853D+01 -0.551721D+01  0.178990D+01
               101           102           103           104           105 
      1   0.305954D+01  0.178990D+01  0.299213D+01 -0.178116D+01 -0.952546D+00
      2  -0.252765D+01 -0.104823D+01 -0.178116D+01  0.224455D+01  0.875944D+00
      3  -0.104823D+01 -0.172170D+01 -0.952546D+00  0.875944D+00  0.102871D+01
               106           107           108           109           110 
      1   0.342842D+01 -0.166774D+01 -0.215952D+01 -0.438413D+01  0.149229D+01
      2  -0.166774D+01  0.202903D+01  0.148102D+01  0.149229D+01 -0.135402D+01
      3  -0.215952D+01  0.148102D+01  0.226681D+01  0.358905D+00  0.257690D+00
               111           112           113           114           115 
      1   0.358905D+00  0.404193D+01  0.435206D-01 -0.210412D+00  0.369454D+00
      2   0.257690D+00  0.435206D-01  0.487422D+01 -0.299955D+00 -0.404216D-01
      3  -0.939714D-03 -0.210412D+00 -0.299955D+00  0.100263D+01  0.397838D+00
               116           117 
      1  -0.404216D-01  0.397838D+00
      2  -0.862472D-01  0.777000D+00
      3   0.777000D+00 -0.241594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.451103D+01 -0.643508D-02 -0.597895D+00 -0.726343D+00 -0.712533D+01
      2   0.652889D+01  0.158461D+01  0.134622D+01  0.188899D+01  0.271631D+01
      3  -0.801374D+01 -0.974622D+01  0.316951D+01 -0.107686D+01  0.137832D+02
                 6             7             8             9            10 
      1  -0.267084D+01  0.117572D+01  0.233841D+01  0.883234D+01  0.966868D+00
      2   0.745078D+00 -0.359277D+01 -0.102267D+00 -0.977425D+01  0.638894D+00
      3  -0.313373D+01  0.341168D+01 -0.318231D+01 -0.108851D+01  0.375015D+01
                11            12            13            14            15 
      1   0.115145D+01 -0.127170D+00  0.190906D+01  0.623776D+00  0.557930D+00
      2   0.180753D+01  0.347102D+01 -0.126415D+01 -0.354127D+01 -0.937095D+00
      3  -0.243825D+01 -0.131544D+01  0.122054D+01 -0.324545D+01  0.138838D+01
                16            17            18            19            20 
      1   0.687269D-02  0.545333D+01 -0.105514D+01 -0.478148D-01  0.110067D+01
      2  -0.329863D+01 -0.599987D+00  0.250319D+01 -0.456486D+01 -0.211666D+01
      3   0.459292D+00  0.264847D+01 -0.487650D+00  0.418055D+01  0.382896D+01
                21            22            23            24            25 
      1  -0.158640D+01  0.234008D+01  0.108112D+01  0.876296D+01  0.239104D+01
      2  -0.635326D+01 -0.202653D+01  0.137018D+01  0.261066D+01 -0.176268D+02
      3   0.673027D+00  0.200539D+01 -0.727648D+01 -0.182307D+01 -0.795442D+00
                26            27            28            29            30 
      1   0.100831D+02 -0.206919D+01 -0.173436D+00  0.376324D+00  0.470687D+01
      2  -0.111557D+01  0.347246D+01 -0.408972D+00  0.163812D+00  0.731694D+01
      3  -0.325229D+01 -0.696648D+00 -0.267919D+01 -0.913770D+01  0.163026D+00
                31            32            33            34            35 
      1  -0.359608D+00 -0.859034D+00 -0.934761D+01 -0.570261D+00  0.162852D+01
      2   0.217258D+01 -0.548660D+00 -0.480324D+01  0.286136D+01 -0.209157D+01
      3   0.742129D+01  0.139043D+02  0.426557D+00  0.982956D+00  0.751134D+00
                36            37            38            39            40 
      1   0.327271D+00  0.220268D+01 -0.186713D+01 -0.580776D+01 -0.320660D+01
      2  -0.936300D+00  0.188201D+01 -0.224447D+01  0.648388D+00 -0.133011D+01
      3   0.326553D+01  0.523313D+01 -0.106605D+02 -0.284060D+00  0.129541D+01
                41            42            43            44            45 
      1   0.316979D+01 -0.415280D+01 -0.769161D+01  0.580860D+01 -0.470207D+01
      2   0.178524D+01  0.954128D+00 -0.737581D+01  0.190820D+01 -0.255702D+01
      3   0.240209D+01  0.393365D+00 -0.176382D+01  0.619082D+00  0.565183D+01
                46            47            48            49            50 
      1   0.145520D+01 -0.133352D+01 -0.352540D+01 -0.862554D+00  0.737707D+00
      2   0.190193D+01 -0.457939D+00  0.613862D+01 -0.926785D+00 -0.134492D+00
      3   0.138215D+02 -0.142028D+02 -0.335896D+00 -0.907764D+01  0.328579D+01
                51            52            53            54            55 
      1  -0.526455D+01 -0.250585D+01  0.126974D+01  0.148777D+01  0.163653D+00
      2   0.109866D+01  0.360344D+01  0.242768D+01 -0.233105D+01 -0.633961D-01
      3   0.535495D+00 -0.124750D+01  0.192281D+01 -0.146747D+01 -0.680529D+00
                56            57            58            59            60 
      1  -0.867655D+00 -0.258384D+00 -0.856147D+00  0.243987D+00 -0.556849D+00
      2  -0.306341D+00  0.329499D+00  0.219951D+00  0.232550D+00  0.540013D+00
      3  -0.125436D+01  0.158902D+00  0.778861D+00  0.569481D+00  0.768106D+00
                61            62            63            64            65 
      1  -0.647980D+00  0.287873D+01  0.112653D+01  0.172374D+01 -0.908836D-01
      2  -0.236497D+01  0.394459D+00 -0.535481D+01 -0.376473D+01 -0.144130D+00
      3  -0.429275D+00  0.831652D+00  0.267631D+00  0.101844D+02 -0.329568D+01
                66            67            68            69            70 
      1  -0.216973D+01  0.195249D+00  0.669574D+00 -0.581431D+00 -0.154093D+01
      2   0.544777D+01 -0.267779D+00 -0.739692D+00 -0.294078D+00  0.164656D+01
      3  -0.215902D+01  0.529484D-01 -0.194079D+00  0.714513D+00 -0.236964D+01
                71            72            73            74            75 
      1   0.725193D+00  0.452822D+00 -0.778137D+00 -0.256159D+00 -0.237526D+00
      2   0.112055D+00 -0.125682D+01  0.819363D+00 -0.122093D+00  0.725678D+00
      3   0.184101D+01  0.145587D+01  0.694318D+00  0.266018D+00  0.918817D+00
                76            77            78            79            80 
      1  -0.511577D-01 -0.104580D+01 -0.528720D+00 -0.950027D+00  0.251882D+01
      2  -0.202520D+00  0.105231D+01 -0.190893D+00 -0.189853D+01  0.966995D+00
      3   0.704833D+00 -0.104963D+01 -0.102074D+01  0.162033D+01 -0.221946D+01
                81            82            83            84            85 
      1  -0.113241D+02  0.120068D+01 -0.554738D+00  0.170561D+01 -0.798885D+00
      2   0.128823D+02 -0.758376D+00 -0.123437D+00 -0.208202D+00  0.214639D+00
      3   0.146861D+00 -0.455391D+01  0.466552D+01 -0.142949D+01  0.671866D+01
                86            87            88            89            90 
      1   0.331758D+01 -0.425185D+01  0.511904D+00 -0.825461D+00  0.551961D+00
      2  -0.964195D+00  0.138882D+01 -0.124579D+01  0.110145D+01  0.137962D-01
      3  -0.151052D+02  0.225197D+01 -0.185208D+01  0.270991D+01 -0.195150D+01
                91            92            93            94            95 
      1   0.271001D+01 -0.431699D+00  0.391271D+01 -0.429368D+00  0.151367D+01
      2   0.727613D+00 -0.664223D+00  0.289860D+01 -0.478361D+00  0.445321D+00
      3  -0.144068D+01  0.330178D+00 -0.155211D+01  0.168824D+01  0.207488D+00
                96            97            98            99           100 
      1  -0.808780D+00  0.543371D+01 -0.119427D+00  0.986046D+01 -0.347279D+01
      2  -0.484401D+00  0.951967D+00 -0.173795D+01  0.641270D+01 -0.102505D+01
      3   0.754119D-01 -0.431095D+01 -0.207945D+01 -0.334118D+01 -0.584921D+01
               101           102           103           104           105 
      1   0.174305D+01  0.383517D+01  0.212177D+01 -0.120659D+01 -0.193629D+01
      2   0.144515D+01  0.307008D+01  0.101521D+01 -0.782322D+00 -0.159723D+01
      3   0.426388D+00  0.186643D+01  0.450062D+01  0.458621D+00 -0.940564D+00
               106           107           108           109           110 
      1   0.423833D+01 -0.141718D+01 -0.374774D+01 -0.143962D+01  0.103672D+01
      2   0.133604D+01 -0.169361D+01 -0.307183D+01 -0.214920D+01  0.876629D+00
      3   0.538999D+01  0.206317D+00 -0.223587D+01 -0.141060D+02  0.104133D+02
               111           112           113           114           115 
      1   0.149916D+00  0.960384D+00 -0.818885D+00 -0.174676D+01 -0.391788D+00
      2  -0.230576D+01  0.984865D+00 -0.891270D+00  0.969582D+00 -0.302673D+01
      3   0.427714D+00  0.137984D+02 -0.828043D+01  0.128409D+00  0.904474D+00
               116           117 
      1   0.462830D+00 -0.422836D-01
      2   0.970362D+00  0.233572D+00
      3  -0.796870D+00  0.481090D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.309632D+02 -0.884191D+01  0.103053D+02 -0.314831D+01  0.152717D+02
      2   0.151241D+02  0.131150D+02 -0.587371D+01  0.739489D+01 -0.176045D+02
      3   0.158391D+02 -0.427305D+01 -0.443158D+01 -0.424658D+01  0.233279D+01
      4  -0.994576D+01  0.980211D+01  0.554395D+01  0.124332D+02  0.371203D+01
      5   0.101654D+02  0.144309D+01  0.835166D-01  0.174452D+01  0.630243D+01
      6   0.745045D+01  0.156634D+01  0.514704D+00  0.160828D+01  0.870963D+01
                 6             7             8             9            10 
      1  -0.312634D+01  0.127937D+02 -0.157097D+01  0.513009D+01  0.642728D+01
      2   0.568896D+01 -0.465910D+01  0.601272D+01  0.805593D+01 -0.120010D+01
      3  -0.256262D+01 -0.813462D+01 -0.444175D+01 -0.131860D+02 -0.522718D+01
      4   0.471661D+01  0.812849D+01  0.643810D+01  0.188688D+01 -0.187778D+01
      5   0.139174D+01 -0.877049D+00  0.115906D+01 -0.187746D+02 -0.213804D+01
      6   0.290354D+01 -0.223377D+00  0.588318D+00 -0.127128D+02 -0.173273D+00
                11            12            13            14            15 
      1  -0.371964D+01  0.132825D+00 -0.648716D+00 -0.821553D-01 -0.186723D+01
      2   0.292489D+01 -0.796967D-01 -0.484905D+00 -0.606369D+01  0.545064D+00
      3   0.794753D+00 -0.531280D-01  0.113362D+01  0.614584D+01  0.132217D+01
      4  -0.225784D+01 -0.126449D+01 -0.153245D+02 -0.566392D+00 -0.276420D+01
      5  -0.109347D+01  0.110351D+01 -0.213863D+01 -0.216367D+01 -0.123253D+01
      6  -0.263640D+01  0.703889D+00 -0.256515D+01 -0.222618D+01 -0.489742D+01
                16            17            18            19            20 
      1  -0.618402D+01 -0.226528D+01  0.898725D+01 -0.819205D+01 -0.221023D+01
      2  -0.704593D+00  0.122482D+01  0.101744D+02 -0.157615D+00  0.445940D+01
      3   0.688861D+01  0.104046D+01 -0.191616D+02  0.834966D+01 -0.224916D+01
      4  -0.163769D+01 -0.560770D+01 -0.241480D+01  0.802202D+01 -0.206813D+02
      5  -0.726014D+00 -0.913751D+00  0.122845D+02 -0.198674D+01  0.223125D+01
      6  -0.982497D+00  0.121284D+01  0.243049D+01 -0.432500D+00  0.669238D+00
                21            22            23            24            25 
      1  -0.214884D+01  0.115052D+02 -0.213696D+00 -0.847980D+00  0.168931D+01
      2  -0.946849D+00 -0.564608D+01 -0.870013D+01 -0.186628D+01 -0.240070D+01
      3   0.309569D+01 -0.585915D+01  0.891382D+01  0.271426D+01  0.711392D+00
      4   0.123718D+01 -0.252206D+02  0.116806D+02  0.971510D+00  0.162919D+01
      5  -0.764695D+01  0.321110D+01 -0.269946D+00  0.356034D+01  0.127785D+01
      6   0.115121D+01 -0.185827D-01  0.198880D+01 -0.141246D+02 -0.223802D+00
                26            27            28            29            30 
      1   0.763734D+00 -0.622315D+01  0.238377D+02 -0.635595D+01  0.489768D+00
      2   0.732063D+00 -0.532083D+01 -0.964522D+01 -0.248638D+01 -0.432598D+00
      3  -0.149580D+01  0.115440D+02 -0.141925D+02  0.884233D+01 -0.571699D-01
      4   0.490174D+01  0.208186D+01 -0.242875D+02  0.261520D+02 -0.130934D+01
      5   0.646391D+00  0.298120D+01  0.285325D+01 -0.168182D+01  0.117496D+02
      6   0.403518D+01  0.177528D+01 -0.455357D+00  0.364894D+00 -0.656013D+01
                31            32            33            34            35 
      1  -0.115350D+02 -0.613679D+01  0.345998D-01  0.296617D+00  0.147672D+00
      2  -0.545669D+00  0.212236D+02  0.975653D+00  0.395947D+00  0.524659D+00
      3   0.120806D+02 -0.150868D+02 -0.101025D+01 -0.692564D+00 -0.672331D+00
      4   0.293429D+02 -0.362216D+02  0.846330D+00 -0.272445D+00 -0.560506D+00
      5  -0.197157D+01  0.200835D+01 -0.934337D+01  0.120357D+02 -0.928595D+01
      6   0.645445D+00 -0.351338D+00  0.141868D+02 -0.486504D+01  0.103174D+02
                36            37            38            39            40 
      1   0.186836D+00  0.158039D+01  0.994057D+01  0.160625D+01  0.799790D+01
      2  -0.205087D+01 -0.390059D+01 -0.648525D+01  0.218658D+01 -0.466418D+01
      3   0.186404D+01  0.232020D+01 -0.345532D+01 -0.379283D+01 -0.333372D+01
      4  -0.951456D+01  0.146746D+02 -0.310047D+01 -0.308715D+01  0.513766D+01
      5   0.668207D+00  0.357845D+01 -0.288823D+01 -0.659310D+01 -0.267607D+01
      6  -0.572920D+00 -0.427181D+01  0.368495D+01  0.875045D+01  0.386883D+01
                41            42            43            44            45 
      1  -0.113151D+02 -0.303712D+00  0.166080D+01 -0.176961D+01 -0.919565D+01
      2   0.210689D+02 -0.201379D+01  0.326009D+01 -0.220477D+01  0.562505D+01
      3  -0.975381D+01  0.231750D+01 -0.492089D+01  0.397437D+01  0.357059D+01
      4  -0.955271D+01  0.346327D+01 -0.594631D+01  0.395533D+01  0.100863D+02
      5   0.286897D+01  0.158104D+01 -0.785813D+01  0.496889D+01 -0.835110D+01
      6  -0.382828D+01  0.444147D+01  0.117083D+02 -0.217344D+00  0.540481D+01
                46            47            48            49            50 
      1   0.218365D+02  0.305170D+01  0.336626D-01 -0.324029D+01  0.273254D+00
      2  -0.122462D+02  0.399246D+01  0.136495D+01  0.762834D+01  0.734722D+01
      3  -0.959028D+01 -0.704416D+01 -0.139862D+01 -0.438805D+01 -0.762047D+01
      4   0.228549D+02  0.201913D+02 -0.178071D+01  0.137436D+02  0.154194D+02
      5  -0.247076D+01 -0.108801D+01  0.110812D+02  0.274699D+00 -0.136387D+01
      6  -0.136557D+01 -0.946437D+00  0.556520D+01 -0.623368D+00 -0.230249D+01
                51            52            53            54            55 
      1   0.182635D+01  0.401710D+00  0.765311D+00 -0.700049D-01  0.465974D+00
      2  -0.453297D+00  0.117890D+01 -0.941410D+00 -0.397114D+01 -0.351200D+01
      3  -0.137305D+01 -0.158061D+01  0.176099D+00  0.404114D+01  0.304603D+01
      4  -0.131576D+01 -0.191539D+01 -0.234878D+01  0.669735D+01  0.626987D+00
      5   0.342783D+01  0.999654D+01  0.620049D+01 -0.452860D+01 -0.197969D+01
      6   0.110549D+02  0.318139D+01  0.808191D+01 -0.317220D+01 -0.722439D+00
                56            57            58            59            60 
      1   0.279188D+00 -0.184572D+01 -0.367443D+00 -0.348145D+01  0.716143D+00
      2   0.110229D+00  0.122806D+01 -0.483423D-01 -0.166532D+00  0.268331D+00
      3  -0.389417D+00  0.617658D+00  0.415785D+00  0.364799D+01 -0.984473D+00
      4   0.228542D+01 -0.347029D+00  0.366865D+01  0.438293D+00 -0.136586D+01
      5  -0.363723D+00  0.682897D+01 -0.159757D+00 -0.155769D+01  0.749547D+00
      6   0.836793D+00 -0.229753D+00  0.117135D+00 -0.764215D+00  0.695815D+01
                61            62            63            64            65 
      1   0.511382D+00  0.223725D+00 -0.180279D+02  0.508935D+02  0.482060D+01
      2   0.243302D+01  0.174610D+00 -0.177073D+02 -0.247631D+02  0.206604D+00
      3  -0.294441D+01 -0.398334D+00  0.357352D+02 -0.261304D+02 -0.502720D+01
      4  -0.863285D+00 -0.195956D+01  0.645962D+00  0.233061D+02  0.111097D+02
      5   0.580241D+01  0.105151D+00 -0.143322D+02 -0.710287D+01 -0.749790D+00
      6   0.456916D+00  0.450911D+01 -0.216035D+01 -0.433356D+01 -0.747213D+00
                66            67            68            69            70 
      1  -0.814394D+01 -0.233823D+01  0.316846D+01  0.606476D+00 -0.105636D+02
      2   0.416311D+01  0.322541D+01  0.905498D+00 -0.124972D+01  0.578557D+01
      3   0.398083D+01 -0.887179D+00 -0.407396D+01  0.643244D+00  0.477804D+01
      4  -0.361615D+01  0.734558D+01  0.313164D+01 -0.221968D+01 -0.565293D+01
      5   0.904401D+01 -0.310339D+00 -0.201405D+01 -0.394087D+00  0.964730D+01
      6   0.417342D+01 -0.666559D+00 -0.118653D+01  0.997597D+00  0.372718D+01
                71            72            73            74            75 
      1  -0.115505D+00  0.542014D+01  0.404172D+01  0.157423D+01  0.242883D+01
      2  -0.168455D+01 -0.536655D+01 -0.403684D+01 -0.184001D+01 -0.141594D+01
      3   0.180005D+01 -0.535910D-01 -0.488229D-02  0.265775D+00 -0.101289D+01
      4  -0.438561D+01  0.309467D+01  0.210823D+01  0.950787D-01  0.155391D+01
      5   0.123385D+01 -0.401150D+01  0.186351D+01  0.386469D+00  0.523181D+01
      6   0.181156D+01 -0.104183D+01  0.125969D+01 -0.467974D+00  0.486900D+00
                76            77            78            79            80 
      1  -0.269401D+00 -0.394261D+01 -0.155853D+01  0.297324D+01 -0.257746D+01
      2   0.133063D+00  0.228963D+01  0.262371D+01 -0.283989D+01  0.260253D+01
      3   0.136338D+00  0.165299D+01 -0.106519D+01 -0.133349D+00 -0.250724D-01
      4   0.409177D+00  0.351965D+00  0.254728D+01  0.364693D+01  0.519948D+01
      5  -0.883313D+00  0.204156D+01 -0.578807D+00  0.755456D+01  0.253064D+01
      6   0.452577D+00  0.121086D+01  0.519057D+01  0.222538D+01  0.709336D+01
                81            82            83            84            85 
      1  -0.124533D+02 -0.122502D+01  0.755305D+01 -0.195330D+01  0.674532D+01
      2  -0.135462D+02  0.370729D+01 -0.108181D+02  0.197308D+01 -0.662345D+01
      3   0.259995D+02 -0.248228D+01  0.326510D+01 -0.197894D-01 -0.121869D+00
      4   0.185999D+01 -0.179932D+01  0.209884D+00 -0.132866D+01  0.458340D+01
      5   0.241863D+02 -0.140829D+01  0.317114D+00 -0.584319D+00  0.858627D+00
      6   0.189047D+02 -0.161213D+01  0.774411D+00 -0.257818D+01  0.486463D+00
                86            87            88            89            90 
      1  -0.232918D+02  0.319936D+01 -0.263739D+01  0.400020D+01 -0.495853D+01
      2   0.393022D+02 -0.536198D+01  0.147977D+01 -0.609484D+01  0.349050D+01
      3  -0.160104D+02  0.216262D+01  0.115761D+01  0.209464D+01  0.146803D+01
      4   0.146837D+02 -0.176635D+01 -0.232484D+01 -0.334310D+01  0.119158D+01
      5  -0.333108D+01  0.328180D+01  0.917861D+00  0.218246D+01  0.448649D+00
      6  -0.397701D+01  0.670380D+01 -0.114327D+01  0.753228D+01 -0.247886D+01
                91            92            93            94            95 
      1   0.576615D+01 -0.265731D+01  0.392950D+01 -0.210414D+01 -0.143116D+01
      2  -0.337991D+01  0.533189D+00 -0.303972D+01  0.732874D+00  0.175619D+01
      3  -0.238624D+01  0.212412D+01 -0.889779D+00  0.137126D+01 -0.325032D+00
      4  -0.723552D+01  0.551206D+01 -0.453316D+01  0.378717D+01 -0.221516D+01
      5   0.701189D+01 -0.272556D+01  0.923214D+01 -0.993502D+00  0.208856D+01
      6  -0.401837D+01  0.191021D+01 -0.596970D+01  0.194861D+01 -0.160323D+01
                96            97            98            99           100 
      1   0.167314D+00  0.576884D+01  0.821858D+00  0.978173D+00  0.147541D+02
      2  -0.111166D+01 -0.605932D+01 -0.102608D+01 -0.835426D+01 -0.369541D+01
      3   0.944341D+00  0.290479D+00  0.204220D+00  0.737609D+01 -0.110587D+02
      4   0.267496D+01 -0.712137D+01  0.664190D+01 -0.767493D+01 -0.199520D+02
      5  -0.104576D+01  0.106685D+02 -0.461612D+01  0.183012D+02 -0.101003D+02
      6   0.351369D+01 -0.747721D+01  0.539897D+01 -0.149275D+02  0.783060D+01
               101           102           103           104           105 
      1  -0.643759D+01 -0.513343D+01 -0.566009D+01  0.401204D+00  0.110397D+01
      2  -0.885256D+00  0.114323D+01 -0.648051D+00  0.521131D+01  0.152855D+01
      3   0.732284D+01  0.399019D+01  0.630815D+01 -0.561251D+01 -0.263252D+01
      4   0.158025D+02  0.774419D+01  0.132846D+02 -0.100836D+02 -0.550860D+01
      5   0.584321D+01  0.892274D+01  0.395752D+01 -0.453690D+01 -0.332261D+01
      6  -0.532201D+01 -0.633815D+01 -0.529031D+01  0.503582D+01  0.507148D+01
               106           107           108           109           110 
      1  -0.676554D+01  0.143712D+01  0.281862D+01 -0.914241D+01  0.156293D+01
      2   0.273129D+01  0.124839D+01 -0.256806D+01  0.766530D+01 -0.210649D+01
      3   0.403425D+01 -0.268551D+01 -0.250560D+00  0.147712D+01  0.543563D+00
      4   0.115764D+02 -0.918167D+01 -0.907583D+01 -0.757525D+01 -0.351115D+01
      5   0.106498D+02 -0.654960D+01 -0.952910D+01  0.124228D+01 -0.233700D+00
      6  -0.860589D+01  0.749500D+01  0.846409D+01  0.844274D+00  0.313194D+00
               111           112           113           114           115 
      1  -0.330155D+00  0.378334D+01 -0.102927D+02  0.451700D+00  0.369569D+00
      2   0.441151D-01 -0.189426D+01  0.155759D+02 -0.377787D+00 -0.286358D+00
      3   0.286040D+00 -0.188908D+01 -0.528329D+01 -0.739123D-01 -0.832113D-01
      4   0.584301D+00  0.686966D+01  0.814153D+01 -0.751439D+00  0.753274D+00
      5  -0.340179D+01 -0.913283D+00 -0.726624D-01  0.192487D+01  0.971171D+00
      6   0.330149D+00 -0.435310D+00 -0.130901D+01  0.305144D+01  0.114162D+01
               116           117 
      1   0.541310D+00 -0.262676D+01
      2  -0.166030D+00  0.150504D+01
      3  -0.375280D+00  0.112172D+01
      4   0.250391D+00  0.113551D+01
      5   0.125820D+01  0.185093D+00
      6   0.375067D+01 -0.516074D+00
 Leave Link  716 at Thu Aug 12 17:19:20 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.600605D+02 -0.108027D+01 -0.471942D+00
      2  -0.108027D+01  0.616092D+02 -0.603173D+00
      3  -0.471942D+00 -0.603173D+00  0.450514D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.662639D+00  0.208423D+01  0.550640D+01
      2  -0.325197D+01 -0.183446D+01 -0.182192D+02
      3   0.364002D+01  0.957442D+01  0.137285D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.414457D+02  0.441772D+00 -0.720929D+00
      2   0.254677D+02 -0.880490D+01  0.126713D+01
      3   0.159781D+02  0.836313D+01 -0.546199D+00
      4  -0.104887D+02 -0.203216D+02 -0.587911D+01
      5  -0.955408D+00 -0.700247D+01 -0.408879D+02
      6  -0.467434D+01 -0.215553D+01 -0.636774D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.531671D+01 -0.512424D+00 -0.229120D+01 -0.167542D+01 -0.322031D+01
      2  -0.512424D+00 -0.444957D+01 -0.154273D+00 -0.322031D+01  0.290401D+01
      3  -0.229120D+01 -0.154273D+00  0.812822D-01 -0.259114D+00 -0.191861D+01
                 6             7             8             9            10 
      1  -0.259114D+00 -0.297938D+01 -0.676077D+00  0.507987D+00 -0.398753D+01
      2  -0.191861D+01 -0.676077D+00 -0.230668D+01  0.209256D-01  0.102720D+01
      3  -0.263214D+00  0.507987D+00  0.209256D-01  0.707145D+01  0.570604D+00
                11            12            13            14            15 
      1   0.102720D+01  0.570604D+00  0.137541D+01  0.283968D+01  0.407589D+00
      2   0.364183D+01  0.396382D+00  0.283968D+01 -0.157517D+01  0.102404D+01
      3   0.396382D+00  0.160430D-01  0.407589D+00  0.102404D+01  0.577260D+00
                16            17            18            19            20 
      1   0.380236D+00  0.108617D+01  0.354226D+00  0.258486D+01  0.658004D+00
      2   0.108617D+01  0.169819D+01  0.251056D+00  0.658004D+00 -0.406919D+01
      3   0.354226D+00  0.251056D+00 -0.726991D+01  0.122900D-01  0.265255D+00
                21            22            23            24            25 
      1   0.122900D-01  0.279900D+01 -0.459690D+01  0.144439D+00 -0.636139D+00
      2   0.265255D+00 -0.459690D+01  0.339323D+01  0.959391D-01  0.527801D+00
      3  -0.479337D-01  0.144439D+00  0.959391D-01  0.595819D+00  0.766027D-01
                26            27            28            29            30 
      1   0.527801D+00  0.766027D-01  0.564988D+01 -0.415544D+01  0.221880D+00
      2  -0.377067D+00  0.249934D+00 -0.415544D+01  0.434526D+01 -0.295034D+00
      3   0.249934D+00  0.591929D+00  0.221880D+00 -0.295034D+00  0.118721D+01
                31            32            33            34            35 
      1  -0.509052D+01  0.397858D+01  0.230932D-01  0.398252D+00 -0.353136D-01
      2   0.397858D+01 -0.101655D+02  0.112376D+00 -0.353136D-01  0.564835D-01
      3   0.230932D-01  0.112376D+00 -0.231706D+01  0.199206D+01 -0.278406D+01
                36            37            38            39            40 
      1   0.199206D+01  0.367846D+01 -0.205815D+01 -0.779959D+00 -0.160109D+01
      2  -0.278406D+01 -0.205815D+01  0.124739D+00  0.318954D+00 -0.575229D+00
      3   0.136657D+00 -0.779959D+00  0.318954D+00  0.285311D+01  0.456098D+00
                41            42            43            44            45 
      1  -0.575229D+00  0.456098D+00 -0.104732D+01  0.620557D+00  0.311201D+01
      2   0.474526D+01 -0.843600D+00  0.620557D+00 -0.960657D+00 -0.618209D+00
      3  -0.843600D+00 -0.262609D+00  0.311201D+01 -0.618209D+00  0.305341D+01
                46            47            48            49            50 
      1   0.727677D+01  0.168062D+01 -0.688522D+00 -0.225203D+01  0.397654D+01
      2   0.168062D+01  0.400652D+01 -0.415208D+00  0.397654D+01  0.237969D+01
      3  -0.688522D+00 -0.415208D+00  0.860106D+00  0.816603D-02 -0.389216D+00
                51            52            53            54            55 
      1   0.816603D-02 -0.854721D+00 -0.533913D+00  0.127820D+01  0.132703D+00
      2  -0.389216D+00 -0.533913D+00 -0.447487D+00  0.177187D+01 -0.180112D+00
      3   0.843047D+00  0.127820D+01  0.177187D+01 -0.113917D+01  0.100805D+01
                56            57            58            59            60 
      1  -0.180112D+00  0.100805D+01 -0.533080D+00 -0.728420D+00  0.250934D-01
      2  -0.734287D+00 -0.202590D-01 -0.728420D+00  0.327888D-01  0.111916D+01
      3  -0.202590D-01 -0.481000D+00  0.250934D-01  0.111916D+01 -0.479031D+00
                61            62            63            64            65 
      1   0.178814D+01 -0.146274D+00 -0.663083D+00 -0.942508D+01 -0.143451D+01
      2  -0.146274D+00  0.144710D+01 -0.519599D-01 -0.143451D+01 -0.127737D+01
      3  -0.663083D+00 -0.519599D-01  0.909728D+01  0.149399D+01  0.111430D+00
                66            67            68            69            70 
      1   0.149399D+01  0.248064D+00 -0.843431D+00  0.137798D+00  0.235760D+01
      2   0.111430D+00 -0.843431D+00 -0.632663D+00  0.502316D+00  0.392093D+00
      3  -0.150217D+01  0.137798D+00  0.502316D+00  0.908150D-01 -0.148898D+01
                71            72            73            74            75 
      1   0.392093D+00 -0.148898D+01 -0.769861D+00 -0.127863D+00 -0.721688D+00
      2   0.994621D+00 -0.222904D+00 -0.127863D+00  0.576969D+00  0.633413D-01
      3  -0.222904D+00  0.347410D+00 -0.721688D+00  0.633413D-01  0.651444D-01
                76            77            78            79            80 
      1   0.342638D+00  0.199343D+00  0.143723D+00 -0.130518D+01 -0.372892D+00
      2   0.199343D+00 -0.462859D+00 -0.800134D+00 -0.372892D+00 -0.167639D+01
      3   0.143723D+00 -0.800134D+00  0.294238D+00 -0.100394D+01 -0.951921D+00
                81            82            83            84            85 
      1  -0.100394D+01  0.770478D+00 -0.657269D+00  0.508830D+00 -0.139007D+01
      2  -0.951921D+00 -0.657269D+00  0.240279D+01 -0.108020D+00  0.960600D+00
      3  -0.848643D+01  0.508830D+00 -0.108020D+00  0.595084D+00 -0.216988D+00
                86            87            88            89            90 
      1   0.960600D+00 -0.216988D+00  0.801197D+00  0.755406D-01  0.174591D+00
      2  -0.847799D+01  0.102810D+01  0.755406D-01  0.165014D+01 -0.120129D+01
      3   0.102810D+01 -0.130654D+01  0.174591D+00 -0.120129D+01  0.893775D-01
                91            92            93            94            95 
      1  -0.175494D+01  0.120812D+01 -0.148308D+01  0.743033D+00 -0.252819D+00
      2   0.120812D+01 -0.686020D+00  0.627966D+00 -0.252819D+00  0.740476D+00
      3  -0.148308D+01  0.627966D+00 -0.190424D+01  0.293061D+00 -0.506363D+00
                96            97            98            99           100 
      1   0.293061D+00 -0.270056D+01  0.770471D+00 -0.257799D+01 -0.508833D+01
      2  -0.506363D+00  0.770471D+00 -0.202102D+01  0.127853D+01  0.305954D+01
      3   0.195942D+00 -0.257799D+01  0.127853D+01 -0.551721D+01  0.178990D+01
               101           102           103           104           105 
      1   0.305954D+01  0.178990D+01  0.299213D+01 -0.178116D+01 -0.952546D+00
      2  -0.252765D+01 -0.104823D+01 -0.178116D+01  0.224455D+01  0.875944D+00
      3  -0.104823D+01 -0.172170D+01 -0.952546D+00  0.875944D+00  0.102871D+01
               106           107           108           109           110 
      1   0.342842D+01 -0.166774D+01 -0.215952D+01 -0.438413D+01  0.149229D+01
      2  -0.166774D+01  0.202903D+01  0.148102D+01  0.149229D+01 -0.135402D+01
      3  -0.215952D+01  0.148102D+01  0.226681D+01  0.358905D+00  0.257690D+00
               111           112           113           114           115 
      1   0.358905D+00  0.404193D+01  0.435206D-01 -0.210412D+00  0.369454D+00
      2   0.257690D+00  0.435206D-01  0.487422D+01 -0.299955D+00 -0.404216D-01
      3  -0.939714D-03 -0.210412D+00 -0.299955D+00  0.100263D+01  0.397838D+00
               116           117 
      1  -0.404216D-01  0.397838D+00
      2  -0.862472D-01  0.777000D+00
      3   0.777000D+00 -0.241594D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.451103D+01 -0.643508D-02 -0.597895D+00 -0.726343D+00 -0.712533D+01
      2   0.652889D+01  0.158461D+01  0.134622D+01  0.188899D+01  0.271631D+01
      3  -0.801374D+01 -0.974622D+01  0.316951D+01 -0.107686D+01  0.137832D+02
                 6             7             8             9            10 
      1  -0.267084D+01  0.117572D+01  0.233841D+01  0.883234D+01  0.966868D+00
      2   0.745078D+00 -0.359277D+01 -0.102267D+00 -0.977425D+01  0.638894D+00
      3  -0.313373D+01  0.341168D+01 -0.318231D+01 -0.108851D+01  0.375015D+01
                11            12            13            14            15 
      1   0.115145D+01 -0.127170D+00  0.190906D+01  0.623776D+00  0.557930D+00
      2   0.180753D+01  0.347102D+01 -0.126415D+01 -0.354127D+01 -0.937095D+00
      3  -0.243825D+01 -0.131544D+01  0.122054D+01 -0.324545D+01  0.138838D+01
                16            17            18            19            20 
      1   0.687269D-02  0.545333D+01 -0.105514D+01 -0.478148D-01  0.110067D+01
      2  -0.329863D+01 -0.599987D+00  0.250319D+01 -0.456486D+01 -0.211666D+01
      3   0.459292D+00  0.264847D+01 -0.487650D+00  0.418055D+01  0.382896D+01
                21            22            23            24            25 
      1  -0.158640D+01  0.234008D+01  0.108112D+01  0.876296D+01  0.239104D+01
      2  -0.635326D+01 -0.202653D+01  0.137018D+01  0.261066D+01 -0.176268D+02
      3   0.673027D+00  0.200539D+01 -0.727648D+01 -0.182307D+01 -0.795442D+00
                26            27            28            29            30 
      1   0.100831D+02 -0.206919D+01 -0.173436D+00  0.376324D+00  0.470687D+01
      2  -0.111557D+01  0.347246D+01 -0.408972D+00  0.163812D+00  0.731694D+01
      3  -0.325229D+01 -0.696648D+00 -0.267919D+01 -0.913770D+01  0.163026D+00
                31            32            33            34            35 
      1  -0.359608D+00 -0.859034D+00 -0.934761D+01 -0.570261D+00  0.162852D+01
      2   0.217258D+01 -0.548660D+00 -0.480324D+01  0.286136D+01 -0.209157D+01
      3   0.742129D+01  0.139043D+02  0.426557D+00  0.982956D+00  0.751134D+00
                36            37            38            39            40 
      1   0.327271D+00  0.220268D+01 -0.186713D+01 -0.580776D+01 -0.320660D+01
      2  -0.936300D+00  0.188201D+01 -0.224447D+01  0.648388D+00 -0.133011D+01
      3   0.326553D+01  0.523313D+01 -0.106605D+02 -0.284060D+00  0.129541D+01
                41            42            43            44            45 
      1   0.316979D+01 -0.415280D+01 -0.769161D+01  0.580860D+01 -0.470207D+01
      2   0.178524D+01  0.954128D+00 -0.737581D+01  0.190820D+01 -0.255702D+01
      3   0.240209D+01  0.393365D+00 -0.176382D+01  0.619082D+00  0.565183D+01
                46            47            48            49            50 
      1   0.145520D+01 -0.133352D+01 -0.352540D+01 -0.862554D+00  0.737707D+00
      2   0.190193D+01 -0.457939D+00  0.613862D+01 -0.926785D+00 -0.134492D+00
      3   0.138215D+02 -0.142028D+02 -0.335896D+00 -0.907764D+01  0.328579D+01
                51            52            53            54            55 
      1  -0.526455D+01 -0.250585D+01  0.126974D+01  0.148777D+01  0.163653D+00
      2   0.109866D+01  0.360344D+01  0.242768D+01 -0.233105D+01 -0.633961D-01
      3   0.535495D+00 -0.124750D+01  0.192281D+01 -0.146747D+01 -0.680529D+00
                56            57            58            59            60 
      1  -0.867655D+00 -0.258384D+00 -0.856147D+00  0.243987D+00 -0.556849D+00
      2  -0.306341D+00  0.329499D+00  0.219951D+00  0.232550D+00  0.540013D+00
      3  -0.125436D+01  0.158902D+00  0.778861D+00  0.569481D+00  0.768106D+00
                61            62            63            64            65 
      1  -0.647980D+00  0.287873D+01  0.112653D+01  0.172374D+01 -0.908836D-01
      2  -0.236497D+01  0.394459D+00 -0.535481D+01 -0.376473D+01 -0.144130D+00
      3  -0.429275D+00  0.831652D+00  0.267631D+00  0.101844D+02 -0.329568D+01
                66            67            68            69            70 
      1  -0.216973D+01  0.195249D+00  0.669574D+00 -0.581431D+00 -0.154093D+01
      2   0.544777D+01 -0.267779D+00 -0.739692D+00 -0.294078D+00  0.164656D+01
      3  -0.215902D+01  0.529484D-01 -0.194079D+00  0.714513D+00 -0.236964D+01
                71            72            73            74            75 
      1   0.725193D+00  0.452822D+00 -0.778137D+00 -0.256159D+00 -0.237526D+00
      2   0.112055D+00 -0.125682D+01  0.819363D+00 -0.122093D+00  0.725678D+00
      3   0.184101D+01  0.145587D+01  0.694318D+00  0.266018D+00  0.918817D+00
                76            77            78            79            80 
      1  -0.511577D-01 -0.104580D+01 -0.528720D+00 -0.950027D+00  0.251882D+01
      2  -0.202520D+00  0.105231D+01 -0.190893D+00 -0.189853D+01  0.966995D+00
      3   0.704833D+00 -0.104963D+01 -0.102074D+01  0.162033D+01 -0.221946D+01
                81            82            83            84            85 
      1  -0.113241D+02  0.120068D+01 -0.554738D+00  0.170561D+01 -0.798885D+00
      2   0.128823D+02 -0.758376D+00 -0.123437D+00 -0.208202D+00  0.214639D+00
      3   0.146861D+00 -0.455391D+01  0.466552D+01 -0.142949D+01  0.671866D+01
                86            87            88            89            90 
      1   0.331758D+01 -0.425185D+01  0.511904D+00 -0.825461D+00  0.551961D+00
      2  -0.964195D+00  0.138882D+01 -0.124579D+01  0.110145D+01  0.137962D-01
      3  -0.151052D+02  0.225197D+01 -0.185208D+01  0.270991D+01 -0.195150D+01
                91            92            93            94            95 
      1   0.271001D+01 -0.431699D+00  0.391271D+01 -0.429368D+00  0.151367D+01
      2   0.727613D+00 -0.664223D+00  0.289860D+01 -0.478361D+00  0.445321D+00
      3  -0.144068D+01  0.330178D+00 -0.155211D+01  0.168824D+01  0.207488D+00
                96            97            98            99           100 
      1  -0.808780D+00  0.543371D+01 -0.119427D+00  0.986046D+01 -0.347279D+01
      2  -0.484401D+00  0.951967D+00 -0.173795D+01  0.641270D+01 -0.102505D+01
      3   0.754119D-01 -0.431095D+01 -0.207945D+01 -0.334118D+01 -0.584921D+01
               101           102           103           104           105 
      1   0.174305D+01  0.383517D+01  0.212177D+01 -0.120659D+01 -0.193629D+01
      2   0.144515D+01  0.307008D+01  0.101521D+01 -0.782322D+00 -0.159723D+01
      3   0.426388D+00  0.186643D+01  0.450062D+01  0.458621D+00 -0.940564D+00
               106           107           108           109           110 
      1   0.423833D+01 -0.141718D+01 -0.374774D+01 -0.143962D+01  0.103672D+01
      2   0.133604D+01 -0.169361D+01 -0.307183D+01 -0.214920D+01  0.876629D+00
      3   0.538999D+01  0.206317D+00 -0.223587D+01 -0.141060D+02  0.104133D+02
               111           112           113           114           115 
      1   0.149916D+00  0.960384D+00 -0.818885D+00 -0.174676D+01 -0.391788D+00
      2  -0.230576D+01  0.984865D+00 -0.891270D+00  0.969582D+00 -0.302673D+01
      3   0.427714D+00  0.137984D+02 -0.828043D+01  0.128409D+00  0.904474D+00
               116           117 
      1   0.462830D+00 -0.422836D-01
      2   0.970362D+00  0.233572D+00
      3  -0.796870D+00  0.481090D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.309632D+02 -0.884191D+01  0.103053D+02 -0.314831D+01  0.152717D+02
      2   0.151241D+02  0.131150D+02 -0.587371D+01  0.739489D+01 -0.176045D+02
      3   0.158391D+02 -0.427305D+01 -0.443158D+01 -0.424658D+01  0.233279D+01
      4  -0.994576D+01  0.980211D+01  0.554395D+01  0.124332D+02  0.371203D+01
      5   0.101654D+02  0.144309D+01  0.835166D-01  0.174452D+01  0.630243D+01
      6   0.745045D+01  0.156634D+01  0.514704D+00  0.160828D+01  0.870963D+01
                 6             7             8             9            10 
      1  -0.312634D+01  0.127937D+02 -0.157097D+01  0.513009D+01  0.642728D+01
      2   0.568896D+01 -0.465910D+01  0.601272D+01  0.805593D+01 -0.120010D+01
      3  -0.256262D+01 -0.813462D+01 -0.444175D+01 -0.131860D+02 -0.522718D+01
      4   0.471661D+01  0.812849D+01  0.643810D+01  0.188688D+01 -0.187778D+01
      5   0.139174D+01 -0.877049D+00  0.115906D+01 -0.187746D+02 -0.213804D+01
      6   0.290354D+01 -0.223377D+00  0.588318D+00 -0.127128D+02 -0.173273D+00
                11            12            13            14            15 
      1  -0.371964D+01  0.132825D+00 -0.648716D+00 -0.821553D-01 -0.186723D+01
      2   0.292489D+01 -0.796967D-01 -0.484905D+00 -0.606369D+01  0.545064D+00
      3   0.794753D+00 -0.531280D-01  0.113362D+01  0.614584D+01  0.132217D+01
      4  -0.225784D+01 -0.126449D+01 -0.153245D+02 -0.566392D+00 -0.276420D+01
      5  -0.109347D+01  0.110351D+01 -0.213863D+01 -0.216367D+01 -0.123253D+01
      6  -0.263640D+01  0.703889D+00 -0.256515D+01 -0.222618D+01 -0.489742D+01
                16            17            18            19            20 
      1  -0.618402D+01 -0.226528D+01  0.898725D+01 -0.819205D+01 -0.221023D+01
      2  -0.704593D+00  0.122482D+01  0.101744D+02 -0.157615D+00  0.445940D+01
      3   0.688861D+01  0.104046D+01 -0.191616D+02  0.834966D+01 -0.224916D+01
      4  -0.163769D+01 -0.560770D+01 -0.241480D+01  0.802202D+01 -0.206813D+02
      5  -0.726014D+00 -0.913751D+00  0.122845D+02 -0.198674D+01  0.223125D+01
      6  -0.982497D+00  0.121284D+01  0.243049D+01 -0.432500D+00  0.669238D+00
                21            22            23            24            25 
      1  -0.214884D+01  0.115052D+02 -0.213696D+00 -0.847980D+00  0.168931D+01
      2  -0.946849D+00 -0.564608D+01 -0.870013D+01 -0.186628D+01 -0.240070D+01
      3   0.309569D+01 -0.585915D+01  0.891382D+01  0.271426D+01  0.711392D+00
      4   0.123718D+01 -0.252206D+02  0.116806D+02  0.971510D+00  0.162919D+01
      5  -0.764695D+01  0.321110D+01 -0.269946D+00  0.356034D+01  0.127785D+01
      6   0.115121D+01 -0.185827D-01  0.198880D+01 -0.141246D+02 -0.223802D+00
                26            27            28            29            30 
      1   0.763734D+00 -0.622315D+01  0.238377D+02 -0.635595D+01  0.489768D+00
      2   0.732063D+00 -0.532083D+01 -0.964522D+01 -0.248638D+01 -0.432598D+00
      3  -0.149580D+01  0.115440D+02 -0.141925D+02  0.884233D+01 -0.571699D-01
      4   0.490174D+01  0.208186D+01 -0.242875D+02  0.261520D+02 -0.130934D+01
      5   0.646391D+00  0.298120D+01  0.285325D+01 -0.168182D+01  0.117496D+02
      6   0.403518D+01  0.177528D+01 -0.455357D+00  0.364894D+00 -0.656013D+01
                31            32            33            34            35 
      1  -0.115350D+02 -0.613679D+01  0.345998D-01  0.296617D+00  0.147672D+00
      2  -0.545669D+00  0.212236D+02  0.975653D+00  0.395947D+00  0.524659D+00
      3   0.120806D+02 -0.150868D+02 -0.101025D+01 -0.692564D+00 -0.672331D+00
      4   0.293429D+02 -0.362216D+02  0.846330D+00 -0.272445D+00 -0.560506D+00
      5  -0.197157D+01  0.200835D+01 -0.934337D+01  0.120357D+02 -0.928595D+01
      6   0.645445D+00 -0.351338D+00  0.141868D+02 -0.486504D+01  0.103174D+02
                36            37            38            39            40 
      1   0.186836D+00  0.158039D+01  0.994057D+01  0.160625D+01  0.799790D+01
      2  -0.205087D+01 -0.390059D+01 -0.648525D+01  0.218658D+01 -0.466418D+01
      3   0.186404D+01  0.232020D+01 -0.345532D+01 -0.379283D+01 -0.333372D+01
      4  -0.951456D+01  0.146746D+02 -0.310047D+01 -0.308715D+01  0.513766D+01
      5   0.668207D+00  0.357845D+01 -0.288823D+01 -0.659310D+01 -0.267607D+01
      6  -0.572920D+00 -0.427181D+01  0.368495D+01  0.875045D+01  0.386883D+01
                41            42            43            44            45 
      1  -0.113151D+02 -0.303712D+00  0.166080D+01 -0.176961D+01 -0.919565D+01
      2   0.210689D+02 -0.201379D+01  0.326009D+01 -0.220477D+01  0.562505D+01
      3  -0.975381D+01  0.231750D+01 -0.492089D+01  0.397437D+01  0.357059D+01
      4  -0.955271D+01  0.346327D+01 -0.594631D+01  0.395533D+01  0.100863D+02
      5   0.286897D+01  0.158104D+01 -0.785813D+01  0.496889D+01 -0.835110D+01
      6  -0.382828D+01  0.444147D+01  0.117083D+02 -0.217344D+00  0.540481D+01
                46            47            48            49            50 
      1   0.218365D+02  0.305170D+01  0.336626D-01 -0.324029D+01  0.273254D+00
      2  -0.122462D+02  0.399246D+01  0.136495D+01  0.762834D+01  0.734722D+01
      3  -0.959028D+01 -0.704416D+01 -0.139862D+01 -0.438805D+01 -0.762047D+01
      4   0.228549D+02  0.201913D+02 -0.178071D+01  0.137436D+02  0.154194D+02
      5  -0.247076D+01 -0.108801D+01  0.110812D+02  0.274699D+00 -0.136387D+01
      6  -0.136557D+01 -0.946437D+00  0.556520D+01 -0.623368D+00 -0.230249D+01
                51            52            53            54            55 
      1   0.182635D+01  0.401710D+00  0.765311D+00 -0.700049D-01  0.465974D+00
      2  -0.453297D+00  0.117890D+01 -0.941410D+00 -0.397114D+01 -0.351200D+01
      3  -0.137305D+01 -0.158061D+01  0.176099D+00  0.404114D+01  0.304603D+01
      4  -0.131576D+01 -0.191539D+01 -0.234878D+01  0.669735D+01  0.626987D+00
      5   0.342783D+01  0.999654D+01  0.620049D+01 -0.452860D+01 -0.197969D+01
      6   0.110549D+02  0.318139D+01  0.808191D+01 -0.317220D+01 -0.722439D+00
                56            57            58            59            60 
      1   0.279188D+00 -0.184572D+01 -0.367443D+00 -0.348145D+01  0.716143D+00
      2   0.110229D+00  0.122806D+01 -0.483423D-01 -0.166532D+00  0.268331D+00
      3  -0.389417D+00  0.617658D+00  0.415785D+00  0.364799D+01 -0.984473D+00
      4   0.228542D+01 -0.347029D+00  0.366865D+01  0.438293D+00 -0.136586D+01
      5  -0.363723D+00  0.682897D+01 -0.159757D+00 -0.155769D+01  0.749547D+00
      6   0.836793D+00 -0.229753D+00  0.117135D+00 -0.764215D+00  0.695815D+01
                61            62            63            64            65 
      1   0.511382D+00  0.223725D+00 -0.180279D+02  0.508935D+02  0.482060D+01
      2   0.243302D+01  0.174610D+00 -0.177073D+02 -0.247631D+02  0.206604D+00
      3  -0.294441D+01 -0.398334D+00  0.357352D+02 -0.261304D+02 -0.502720D+01
      4  -0.863285D+00 -0.195956D+01  0.645962D+00  0.233061D+02  0.111097D+02
      5   0.580241D+01  0.105151D+00 -0.143322D+02 -0.710287D+01 -0.749790D+00
      6   0.456916D+00  0.450911D+01 -0.216035D+01 -0.433356D+01 -0.747213D+00
                66            67            68            69            70 
      1  -0.814394D+01 -0.233823D+01  0.316846D+01  0.606476D+00 -0.105636D+02
      2   0.416311D+01  0.322541D+01  0.905498D+00 -0.124972D+01  0.578557D+01
      3   0.398083D+01 -0.887179D+00 -0.407396D+01  0.643244D+00  0.477804D+01
      4  -0.361615D+01  0.734558D+01  0.313164D+01 -0.221968D+01 -0.565293D+01
      5   0.904401D+01 -0.310339D+00 -0.201405D+01 -0.394087D+00  0.964730D+01
      6   0.417342D+01 -0.666559D+00 -0.118653D+01  0.997597D+00  0.372718D+01
                71            72            73            74            75 
      1  -0.115505D+00  0.542014D+01  0.404172D+01  0.157423D+01  0.242883D+01
      2  -0.168455D+01 -0.536655D+01 -0.403684D+01 -0.184001D+01 -0.141594D+01
      3   0.180005D+01 -0.535910D-01 -0.488229D-02  0.265775D+00 -0.101289D+01
      4  -0.438561D+01  0.309467D+01  0.210823D+01  0.950787D-01  0.155391D+01
      5   0.123385D+01 -0.401150D+01  0.186351D+01  0.386469D+00  0.523181D+01
      6   0.181156D+01 -0.104183D+01  0.125969D+01 -0.467974D+00  0.486900D+00
                76            77            78            79            80 
      1  -0.269401D+00 -0.394261D+01 -0.155853D+01  0.297324D+01 -0.257746D+01
      2   0.133063D+00  0.228963D+01  0.262371D+01 -0.283989D+01  0.260253D+01
      3   0.136338D+00  0.165299D+01 -0.106519D+01 -0.133349D+00 -0.250724D-01
      4   0.409177D+00  0.351965D+00  0.254728D+01  0.364693D+01  0.519948D+01
      5  -0.883313D+00  0.204156D+01 -0.578807D+00  0.755456D+01  0.253064D+01
      6   0.452577D+00  0.121086D+01  0.519057D+01  0.222538D+01  0.709336D+01
                81            82            83            84            85 
      1  -0.124533D+02 -0.122502D+01  0.755305D+01 -0.195330D+01  0.674532D+01
      2  -0.135462D+02  0.370729D+01 -0.108181D+02  0.197308D+01 -0.662345D+01
      3   0.259995D+02 -0.248228D+01  0.326510D+01 -0.197894D-01 -0.121869D+00
      4   0.185999D+01 -0.179932D+01  0.209884D+00 -0.132866D+01  0.458340D+01
      5   0.241863D+02 -0.140829D+01  0.317114D+00 -0.584319D+00  0.858627D+00
      6   0.189047D+02 -0.161213D+01  0.774411D+00 -0.257818D+01  0.486463D+00
                86            87            88            89            90 
      1  -0.232918D+02  0.319936D+01 -0.263739D+01  0.400020D+01 -0.495853D+01
      2   0.393022D+02 -0.536198D+01  0.147977D+01 -0.609484D+01  0.349050D+01
      3  -0.160104D+02  0.216262D+01  0.115761D+01  0.209464D+01  0.146803D+01
      4   0.146837D+02 -0.176635D+01 -0.232484D+01 -0.334310D+01  0.119158D+01
      5  -0.333108D+01  0.328180D+01  0.917861D+00  0.218246D+01  0.448649D+00
      6  -0.397701D+01  0.670380D+01 -0.114327D+01  0.753228D+01 -0.247886D+01
                91            92            93            94            95 
      1   0.576615D+01 -0.265731D+01  0.392950D+01 -0.210414D+01 -0.143116D+01
      2  -0.337991D+01  0.533189D+00 -0.303972D+01  0.732874D+00  0.175619D+01
      3  -0.238624D+01  0.212412D+01 -0.889779D+00  0.137126D+01 -0.325032D+00
      4  -0.723552D+01  0.551206D+01 -0.453316D+01  0.378717D+01 -0.221516D+01
      5   0.701189D+01 -0.272556D+01  0.923214D+01 -0.993502D+00  0.208856D+01
      6  -0.401837D+01  0.191021D+01 -0.596970D+01  0.194861D+01 -0.160323D+01
                96            97            98            99           100 
      1   0.167314D+00  0.576884D+01  0.821858D+00  0.978173D+00  0.147541D+02
      2  -0.111166D+01 -0.605932D+01 -0.102608D+01 -0.835426D+01 -0.369541D+01
      3   0.944341D+00  0.290479D+00  0.204220D+00  0.737609D+01 -0.110587D+02
      4   0.267496D+01 -0.712137D+01  0.664190D+01 -0.767493D+01 -0.199520D+02
      5  -0.104576D+01  0.106685D+02 -0.461612D+01  0.183012D+02 -0.101003D+02
      6   0.351369D+01 -0.747721D+01  0.539897D+01 -0.149275D+02  0.783060D+01
               101           102           103           104           105 
      1  -0.643759D+01 -0.513343D+01 -0.566009D+01  0.401204D+00  0.110397D+01
      2  -0.885256D+00  0.114323D+01 -0.648051D+00  0.521131D+01  0.152855D+01
      3   0.732284D+01  0.399019D+01  0.630815D+01 -0.561251D+01 -0.263252D+01
      4   0.158025D+02  0.774419D+01  0.132846D+02 -0.100836D+02 -0.550860D+01
      5   0.584321D+01  0.892274D+01  0.395752D+01 -0.453690D+01 -0.332261D+01
      6  -0.532201D+01 -0.633815D+01 -0.529031D+01  0.503582D+01  0.507148D+01
               106           107           108           109           110 
      1  -0.676554D+01  0.143712D+01  0.281862D+01 -0.914241D+01  0.156293D+01
      2   0.273129D+01  0.124839D+01 -0.256806D+01  0.766530D+01 -0.210649D+01
      3   0.403425D+01 -0.268551D+01 -0.250560D+00  0.147712D+01  0.543563D+00
      4   0.115764D+02 -0.918167D+01 -0.907583D+01 -0.757525D+01 -0.351115D+01
      5   0.106498D+02 -0.654960D+01 -0.952910D+01  0.124228D+01 -0.233700D+00
      6  -0.860589D+01  0.749500D+01  0.846409D+01  0.844274D+00  0.313194D+00
               111           112           113           114           115 
      1  -0.330155D+00  0.378334D+01 -0.102927D+02  0.451700D+00  0.369569D+00
      2   0.441151D-01 -0.189426D+01  0.155759D+02 -0.377787D+00 -0.286358D+00
      3   0.286040D+00 -0.188908D+01 -0.528329D+01 -0.739123D-01 -0.832113D-01
      4   0.584301D+00  0.686966D+01  0.814153D+01 -0.751439D+00  0.753274D+00
      5  -0.340179D+01 -0.913283D+00 -0.726624D-01  0.192487D+01  0.971171D+00
      6   0.330149D+00 -0.435310D+00 -0.130901D+01  0.305144D+01  0.114162D+01
               116           117 
      1   0.541310D+00 -0.262676D+01
      2  -0.166030D+00  0.150504D+01
      3  -0.375280D+00  0.112172D+01
      4   0.250391D+00  0.113551D+01
      5   0.125820D+01  0.185093D+00
      6   0.375067D+01 -0.516074D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x         -0.196944D+01     -0.500581D+01     -0.166976D+02
   y          0.818548D+00      0.208054D+01      0.693994D+01
   z          0.130346D+00      0.331305D+00      0.110512D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.546564D+02      0.809924D+01      0.901162D+01
   yx        -0.115539D+01     -0.171211D+00     -0.190498D+00
   yy         0.565124D+02      0.837427D+01      0.931763D+01
   zx        -0.526764D+00     -0.780583D-01     -0.868516D-01
   zy        -0.603703D+00     -0.894596D-01     -0.995372D-01
   zz         0.412617D+02      0.611436D+01      0.680314D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.555737D+02      0.823517D+01      0.916287D+01
   aniso      0.160056D+02      0.237178D+01      0.263896D+01
   xx         0.600605D+02      0.890005D+01      0.990264D+01
   yx        -0.108027D+01     -0.160080D+00     -0.178113D+00
   yy         0.616092D+02      0.912955D+01      0.101580D+02
   zx        -0.471942D+00     -0.699346D-01     -0.778127D-01
   zy        -0.603173D+00     -0.893810D-01     -0.994498D-01
   zz         0.450514D+02      0.667593D+01      0.742797D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.69331513         -2.64205114          1.60562862
     6          0.39873011         -0.71668640          1.14367371
     6          0.33292046          0.26468966         -1.59887574
     8         -0.07488828         -1.07544357         -3.38344942
     7          0.41460922          1.43496845          2.90440186
     8          0.83822232          2.73265519         -1.81446825
     1          2.23119114         -1.65856144          1.31066248
     1         -1.48585385         -3.49873772          3.46899664
     1         -3.54461588         -1.73251840          1.50460995
     1         -1.63870072         -4.11799966          0.17469475
     1         -1.35445702          1.83352113          3.52217324
     1          1.50278487          1.09733708          4.43765136
     1          1.05069201          3.33878048         -0.06881541

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.213675D+01      0.543108D+01      0.181161D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.213675D+01      0.543108D+01      0.181161D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.508101D+02      0.752929D+01      0.837746D+01
   aniso      0.146168D+02      0.216599D+01      0.240999D+01
   xx         0.427656D+02      0.633721D+01      0.705110D+01
   yx         0.441142D+01      0.653704D+00      0.727344D+00
   yy         0.539390D+02      0.799294D+01      0.889334D+01
   zx        -0.346574D-01     -0.513569D-02     -0.571423D-02
   zy         0.155618D+01      0.230602D+00      0.256579D+00
   zz         0.557258D+02      0.825771D+01      0.918794D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.555737D+02      0.823517D+01      0.916287D+01
   aniso      0.160056D+02      0.237178D+01      0.263896D+01
   xx         0.467946D+02      0.693425D+01      0.771539D+01
   yx         0.492755D+01      0.730188D+00      0.812444D+00
   yy         0.589068D+02      0.872909D+01      0.971242D+01
   zx        -0.227615D+00     -0.337291D-01     -0.375287D-01
   zy         0.146282D+01      0.216767D+00      0.241186D+00
   zz         0.610197D+02      0.904218D+01      0.100608D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K13-25-01\Freq\RB3LYP\Gen\C3H7N1O2\PIERPA\12-Aug-2021\0\\
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
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 LET US LEARN TO DREAM, GENTLEMEN, THEN PERHAPS WE SHALL
 DISCOVER THE TRUTH;  BUT LET US BEWARE OF PUBLISHING
 OUR DREAMS ABROAD BEFORE THEY HAVE BEEN SCRUTINIZED
 BY OUR VIGILANT INTELLECT ... LET US ALWAYS ALLOW
 THE FRUIT TO HANG UNTIL IT IS RIPE.  UNRIPE FRUIT
 BRINGS EVEN THE GROWER BUT LITTLE PROFIT; IT DAMAGES
 THE HEALTH OF THOSE WHO CONSUME IT; IT ENDANGERS
 PARTICULARLY THE YOUTH WHO CANNOT YET DISTINGUISH
 BETWEEN RIPE AND UNRIPE FRUIT.

                                  -- KEKULE, 1890
 Job cpu time:       0 days  0 hours 38 minutes 34.7 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 54.0 seconds.
 File lengths (MBytes):  RWF=    119 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 17:19:20 2021.
